USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 CYS SG : rot 150:sc= 0.0603 USER MOD Set 1.2: A 43 THR OG1 : rot -99:sc= 0.0435 USER MOD Set 2.1: A 42 SER OG : rot 180:sc= 0.255 USER MOD Set 2.2: A 44 GLN : amide:sc= -0.62 X(o=-0.36,f=-0.062) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.891) USER MOD Single : A 33 ASN : amide:sc= -0.829 K(o=-0.83,f=0.78) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00498 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -2.14 K(o=-2.1,f=-7.5!) USER MOD Single : A 54 ASN : amide:sc= -1.15 K(o=-1.1,f=-5.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.555 X(o=-0.56,f=-0.82) USER MOD Single : A 60 HIS : no HE2:sc= -3.23! K(o=-3.2!,f=-4.1) USER MOD Single : A 62 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0554) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -21:sc= 0.573 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -134:sc= -1.76 (180deg=-4.8!) USER MOD Single : A 83 GLN : amide:sc= -0.0383 X(o=-0.038,f=-0.36) USER MOD Single : A 91 GLN : amide:sc= -0.894 K(o=-0.89,f=-0.04) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 1.13 K(o=1.1,f=-3.4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 171:sc= -0.123 (180deg=-0.207) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.121 -37.937 24.988 1.00 0.00 N ATOM 2 CA GLY A 1 -24.607 -37.131 23.896 1.00 0.00 C ATOM 3 C GLY A 1 -25.669 -36.808 22.863 1.00 0.00 C ATOM 4 O GLY A 1 -26.391 -37.695 22.408 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.357 -38.130 25.666 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.888 -37.424 25.467 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.487 -38.836 24.614 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.198 -36.203 24.295 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.785 -37.660 23.414 1.00 0.00 H new ATOM 8 N SER A 2 -25.766 -35.535 22.494 1.00 0.00 N ATOM 9 CA SER A 2 -26.751 -35.097 21.513 1.00 0.00 C ATOM 10 C SER A 2 -26.310 -33.800 20.842 1.00 0.00 C ATOM 11 O SER A 2 -25.546 -33.021 21.413 1.00 0.00 O ATOM 12 CB SER A 2 -28.114 -34.901 22.179 1.00 0.00 C ATOM 13 OG SER A 2 -29.142 -34.775 21.212 1.00 0.00 O ATOM 0 H SER A 2 -25.174 -34.789 22.860 1.00 0.00 H new ATOM 0 HA SER A 2 -26.835 -35.871 20.750 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.327 -35.747 22.833 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.090 -34.010 22.807 1.00 0.00 H new ATOM 0 HG SER A 2 -30.003 -34.653 21.664 1.00 0.00 H new ATOM 19 N SER A 3 -26.796 -33.574 19.626 1.00 0.00 N ATOM 20 CA SER A 3 -26.450 -32.374 18.874 1.00 0.00 C ATOM 21 C SER A 3 -27.442 -32.139 17.739 1.00 0.00 C ATOM 22 O SER A 3 -28.177 -33.043 17.344 1.00 0.00 O ATOM 23 CB SER A 3 -25.032 -32.490 18.312 1.00 0.00 C ATOM 24 OG SER A 3 -24.486 -31.212 18.036 1.00 0.00 O ATOM 0 H SER A 3 -27.431 -34.207 19.140 1.00 0.00 H new ATOM 0 HA SER A 3 -26.495 -31.523 19.554 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.396 -33.014 19.026 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.047 -33.087 17.400 1.00 0.00 H new ATOM 0 HG SER A 3 -23.579 -31.314 17.680 1.00 0.00 H new ATOM 30 N GLY A 4 -27.456 -30.916 17.217 1.00 0.00 N ATOM 31 CA GLY A 4 -28.360 -30.582 16.132 1.00 0.00 C ATOM 32 C GLY A 4 -28.249 -29.130 15.711 1.00 0.00 C ATOM 33 O GLY A 4 -27.468 -28.369 16.281 1.00 0.00 O ATOM 0 H GLY A 4 -26.857 -30.151 17.526 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.148 -31.223 15.276 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.385 -30.791 16.440 1.00 0.00 H new ATOM 37 N SER A 5 -29.032 -28.746 14.708 1.00 0.00 N ATOM 38 CA SER A 5 -29.014 -27.377 14.206 1.00 0.00 C ATOM 39 C SER A 5 -30.408 -26.760 14.261 1.00 0.00 C ATOM 40 O SER A 5 -31.408 -27.467 14.388 1.00 0.00 O ATOM 41 CB SER A 5 -28.486 -27.344 12.770 1.00 0.00 C ATOM 42 OG SER A 5 -27.192 -27.915 12.690 1.00 0.00 O ATOM 0 H SER A 5 -29.686 -29.363 14.227 1.00 0.00 H new ATOM 0 HA SER A 5 -28.351 -26.792 14.843 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.168 -27.887 12.116 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.455 -26.314 12.414 1.00 0.00 H new ATOM 0 HG SER A 5 -26.877 -27.884 11.762 1.00 0.00 H new ATOM 48 N SER A 6 -30.467 -25.435 14.165 1.00 0.00 N ATOM 49 CA SER A 6 -31.738 -24.721 14.208 1.00 0.00 C ATOM 50 C SER A 6 -31.782 -23.627 13.146 1.00 0.00 C ATOM 51 O SER A 6 -30.895 -22.776 13.078 1.00 0.00 O ATOM 52 CB SER A 6 -31.958 -24.112 15.594 1.00 0.00 C ATOM 53 OG SER A 6 -33.225 -23.482 15.679 1.00 0.00 O ATOM 0 H SER A 6 -29.650 -24.835 14.057 1.00 0.00 H new ATOM 0 HA SER A 6 -32.535 -25.435 14.002 1.00 0.00 H new ATOM 0 HB2 SER A 6 -31.884 -24.891 16.353 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.173 -23.386 15.805 1.00 0.00 H new ATOM 0 HG SER A 6 -33.342 -23.102 16.575 1.00 0.00 H new ATOM 59 N GLY A 7 -32.822 -23.655 12.319 1.00 0.00 N ATOM 60 CA GLY A 7 -32.963 -22.661 11.270 1.00 0.00 C ATOM 61 C GLY A 7 -32.524 -21.281 11.717 1.00 0.00 C ATOM 62 O GLY A 7 -31.637 -20.677 11.113 1.00 0.00 O ATOM 0 H GLY A 7 -33.570 -24.348 12.356 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -32.373 -22.964 10.405 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -34.004 -22.622 10.948 1.00 0.00 H new ATOM 66 N THR A 8 -33.147 -20.778 12.778 1.00 0.00 N ATOM 67 CA THR A 8 -32.817 -19.459 13.304 1.00 0.00 C ATOM 68 C THR A 8 -33.047 -18.376 12.256 1.00 0.00 C ATOM 69 O THR A 8 -32.248 -17.451 12.122 1.00 0.00 O ATOM 70 CB THR A 8 -31.354 -19.394 13.781 1.00 0.00 C ATOM 71 OG1 THR A 8 -31.065 -20.511 14.628 1.00 0.00 O ATOM 72 CG2 THR A 8 -31.087 -18.098 14.532 1.00 0.00 C ATOM 0 H THR A 8 -33.883 -21.264 13.290 1.00 0.00 H new ATOM 0 HA THR A 8 -33.476 -19.284 14.154 1.00 0.00 H new ATOM 0 HB THR A 8 -30.707 -19.427 12.904 1.00 0.00 H new ATOM 0 HG1 THR A 8 -30.847 -21.291 14.077 1.00 0.00 H new ATOM 0 HG21 THR A 8 -30.048 -18.075 14.859 1.00 0.00 H new ATOM 0 HG22 THR A 8 -31.280 -17.250 13.875 1.00 0.00 H new ATOM 0 HG23 THR A 8 -31.742 -18.039 15.401 1.00 0.00 H new ATOM 80 N GLU A 9 -34.145 -18.499 11.516 1.00 0.00 N ATOM 81 CA GLU A 9 -34.479 -17.529 10.479 1.00 0.00 C ATOM 82 C GLU A 9 -35.989 -17.326 10.390 1.00 0.00 C ATOM 83 O GLU A 9 -36.766 -18.222 10.719 1.00 0.00 O ATOM 84 CB GLU A 9 -33.933 -17.988 9.125 1.00 0.00 C ATOM 85 CG GLU A 9 -32.490 -17.580 8.880 1.00 0.00 C ATOM 86 CD GLU A 9 -31.499 -18.604 9.397 1.00 0.00 C ATOM 87 OE1 GLU A 9 -31.408 -19.696 8.797 1.00 0.00 O ATOM 88 OE2 GLU A 9 -30.814 -18.315 10.400 1.00 0.00 O ATOM 0 H GLU A 9 -34.817 -19.260 11.615 1.00 0.00 H new ATOM 0 HA GLU A 9 -34.017 -16.578 10.744 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -34.011 -19.073 9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -34.558 -17.576 8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -32.334 -17.436 7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -32.301 -16.621 9.362 1.00 0.00 H new ATOM 95 N ARG A 10 -36.395 -16.143 9.943 1.00 0.00 N ATOM 96 CA ARG A 10 -37.811 -15.821 9.811 1.00 0.00 C ATOM 97 C ARG A 10 -38.506 -15.861 11.169 1.00 0.00 C ATOM 98 O ARG A 10 -39.619 -16.372 11.292 1.00 0.00 O ATOM 99 CB ARG A 10 -38.491 -16.798 8.849 1.00 0.00 C ATOM 100 CG ARG A 10 -38.442 -16.354 7.396 1.00 0.00 C ATOM 101 CD ARG A 10 -37.050 -16.522 6.809 1.00 0.00 C ATOM 102 NE ARG A 10 -36.746 -17.920 6.512 1.00 0.00 N ATOM 103 CZ ARG A 10 -35.577 -18.332 6.033 1.00 0.00 C ATOM 104 NH1 ARG A 10 -34.608 -17.458 5.797 1.00 0.00 N ATOM 105 NH2 ARG A 10 -35.376 -19.620 5.788 1.00 0.00 N ATOM 0 H ARG A 10 -35.764 -15.391 9.666 1.00 0.00 H new ATOM 0 HA ARG A 10 -37.892 -14.811 9.410 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -38.014 -17.774 8.938 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -39.532 -16.923 9.147 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -39.157 -16.935 6.813 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -38.745 -15.310 7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -36.968 -15.931 5.897 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -36.312 -16.131 7.509 1.00 0.00 H new ATOM 0 HE ARG A 10 -37.471 -18.618 6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -34.759 -16.467 5.983 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -33.712 -17.777 5.429 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -36.119 -20.295 5.967 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -34.478 -19.935 5.420 1.00 0.00 H new ATOM 119 N GLU A 11 -37.841 -15.319 12.185 1.00 0.00 N ATOM 120 CA GLU A 11 -38.395 -15.295 13.533 1.00 0.00 C ATOM 121 C GLU A 11 -37.791 -14.156 14.349 1.00 0.00 C ATOM 122 O GLU A 11 -36.917 -13.432 13.873 1.00 0.00 O ATOM 123 CB GLU A 11 -38.143 -16.631 14.236 1.00 0.00 C ATOM 124 CG GLU A 11 -39.113 -17.727 13.826 1.00 0.00 C ATOM 125 CD GLU A 11 -40.558 -17.359 14.100 1.00 0.00 C ATOM 126 OE1 GLU A 11 -40.840 -16.833 15.197 1.00 0.00 O ATOM 127 OE2 GLU A 11 -41.408 -17.598 13.217 1.00 0.00 O ATOM 0 H GLU A 11 -36.919 -14.891 12.100 1.00 0.00 H new ATOM 0 HA GLU A 11 -39.470 -15.132 13.454 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -37.126 -16.959 14.021 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -38.210 -16.483 15.314 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -38.991 -17.937 12.763 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -38.867 -18.644 14.362 1.00 0.00 H new ATOM 134 N LYS A 12 -38.264 -14.004 15.582 1.00 0.00 N ATOM 135 CA LYS A 12 -37.771 -12.954 16.466 1.00 0.00 C ATOM 136 C LYS A 12 -36.459 -13.369 17.125 1.00 0.00 C ATOM 137 O LYS A 12 -36.026 -12.762 18.104 1.00 0.00 O ATOM 138 CB LYS A 12 -38.813 -12.633 17.540 1.00 0.00 C ATOM 139 CG LYS A 12 -39.869 -11.640 17.084 1.00 0.00 C ATOM 140 CD LYS A 12 -40.850 -12.276 16.113 1.00 0.00 C ATOM 141 CE LYS A 12 -41.557 -11.226 15.268 1.00 0.00 C ATOM 142 NZ LYS A 12 -40.704 -10.752 14.144 1.00 0.00 N ATOM 0 H LYS A 12 -38.988 -14.595 15.991 1.00 0.00 H new ATOM 0 HA LYS A 12 -37.590 -12.063 15.865 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -39.303 -13.557 17.847 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -38.306 -12.234 18.419 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -40.409 -11.258 17.950 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -39.386 -10.787 16.608 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -40.320 -12.972 15.462 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -41.588 -12.856 16.667 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -42.483 -11.643 14.871 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -41.833 -10.379 15.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -41.221 -10.038 13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -39.832 -10.331 14.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -40.462 -11.555 13.529 1.00 0.00 H new ATOM 156 N PHE A 13 -35.831 -14.406 16.580 1.00 0.00 N ATOM 157 CA PHE A 13 -34.568 -14.901 17.114 1.00 0.00 C ATOM 158 C PHE A 13 -33.388 -14.137 16.519 1.00 0.00 C ATOM 159 O PHE A 13 -33.072 -14.285 15.338 1.00 0.00 O ATOM 160 CB PHE A 13 -34.419 -16.396 16.827 1.00 0.00 C ATOM 161 CG PHE A 13 -35.297 -17.262 17.685 1.00 0.00 C ATOM 162 CD1 PHE A 13 -35.236 -17.178 19.067 1.00 0.00 C ATOM 163 CD2 PHE A 13 -36.183 -18.159 17.110 1.00 0.00 C ATOM 164 CE1 PHE A 13 -36.042 -17.974 19.858 1.00 0.00 C ATOM 165 CE2 PHE A 13 -36.991 -18.957 17.897 1.00 0.00 C ATOM 166 CZ PHE A 13 -36.922 -18.864 19.273 1.00 0.00 C ATOM 0 H PHE A 13 -36.176 -14.919 15.769 1.00 0.00 H new ATOM 0 HA PHE A 13 -34.573 -14.744 18.193 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -34.653 -16.582 15.779 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -33.379 -16.685 16.978 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -34.551 -16.483 19.530 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -36.243 -18.235 16.034 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -35.984 -17.900 20.934 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -37.676 -19.653 17.436 1.00 0.00 H new ATOM 0 HZ PHE A 13 -37.554 -19.485 19.890 1.00 0.00 H new ATOM 176 N ILE A 14 -32.742 -13.321 17.345 1.00 0.00 N ATOM 177 CA ILE A 14 -31.598 -12.535 16.901 1.00 0.00 C ATOM 178 C ILE A 14 -30.446 -13.436 16.470 1.00 0.00 C ATOM 179 O ILE A 14 -30.236 -14.508 17.038 1.00 0.00 O ATOM 180 CB ILE A 14 -31.105 -11.584 18.007 1.00 0.00 C ATOM 181 CG1 ILE A 14 -32.183 -10.550 18.339 1.00 0.00 C ATOM 182 CG2 ILE A 14 -29.818 -10.895 17.579 1.00 0.00 C ATOM 183 CD1 ILE A 14 -33.048 -10.936 19.519 1.00 0.00 C ATOM 0 H ILE A 14 -32.991 -13.187 18.325 1.00 0.00 H new ATOM 0 HA ILE A 14 -31.933 -11.944 16.048 1.00 0.00 H new ATOM 0 HB ILE A 14 -30.900 -12.169 18.903 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -31.705 -9.593 18.547 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -32.818 -10.406 17.465 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -29.482 -10.226 18.372 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -29.050 -11.645 17.388 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -29.998 -10.320 16.671 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -33.790 -10.157 19.697 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -33.554 -11.878 19.306 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -32.424 -11.052 20.405 1.00 0.00 H new ATOM 195 N VAL A 15 -29.700 -12.993 15.463 1.00 0.00 N ATOM 196 CA VAL A 15 -28.566 -13.757 14.957 1.00 0.00 C ATOM 197 C VAL A 15 -27.577 -14.076 16.073 1.00 0.00 C ATOM 198 O VAL A 15 -27.441 -13.335 17.047 1.00 0.00 O ATOM 199 CB VAL A 15 -27.832 -12.997 13.837 1.00 0.00 C ATOM 200 CG1 VAL A 15 -28.753 -12.780 12.646 1.00 0.00 C ATOM 201 CG2 VAL A 15 -27.296 -11.671 14.355 1.00 0.00 C ATOM 0 H VAL A 15 -29.861 -12.108 14.981 1.00 0.00 H new ATOM 0 HA VAL A 15 -28.966 -14.687 14.553 1.00 0.00 H new ATOM 0 HB VAL A 15 -26.986 -13.600 13.507 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -28.217 -12.241 11.865 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -29.083 -13.745 12.261 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -29.620 -12.198 12.958 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -26.780 -11.148 13.550 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -28.124 -11.059 14.714 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -26.599 -11.855 15.173 1.00 0.00 H new ATOM 211 N PRO A 16 -26.867 -15.205 15.929 1.00 0.00 N ATOM 212 CA PRO A 16 -25.876 -15.648 16.915 1.00 0.00 C ATOM 213 C PRO A 16 -24.639 -14.757 16.933 1.00 0.00 C ATOM 214 O PRO A 16 -24.297 -14.133 15.929 1.00 0.00 O ATOM 215 CB PRO A 16 -25.512 -17.058 16.443 1.00 0.00 C ATOM 216 CG PRO A 16 -25.801 -17.055 14.982 1.00 0.00 C ATOM 217 CD PRO A 16 -26.977 -16.136 14.794 1.00 0.00 C ATOM 0 HA PRO A 16 -26.268 -15.612 17.932 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -24.463 -17.283 16.639 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -26.102 -17.814 16.962 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -24.938 -16.706 14.414 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -26.030 -18.060 14.628 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -26.929 -15.613 13.839 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -27.920 -16.682 14.812 1.00 0.00 H new ATOM 225 N ILE A 17 -23.972 -14.702 18.081 1.00 0.00 N ATOM 226 CA ILE A 17 -22.772 -13.889 18.229 1.00 0.00 C ATOM 227 C ILE A 17 -21.904 -13.957 16.977 1.00 0.00 C ATOM 228 O ILE A 17 -21.522 -12.930 16.416 1.00 0.00 O ATOM 229 CB ILE A 17 -21.936 -14.333 19.444 1.00 0.00 C ATOM 230 CG1 ILE A 17 -22.749 -14.182 20.732 1.00 0.00 C ATOM 231 CG2 ILE A 17 -20.650 -13.526 19.526 1.00 0.00 C ATOM 232 CD1 ILE A 17 -22.240 -15.038 21.871 1.00 0.00 C ATOM 0 H ILE A 17 -24.243 -15.211 18.922 1.00 0.00 H new ATOM 0 HA ILE A 17 -23.104 -12.862 18.383 1.00 0.00 H new ATOM 0 HB ILE A 17 -21.675 -15.384 19.322 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -22.736 -13.136 21.040 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -23.788 -14.442 20.529 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -20.070 -13.852 20.390 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -20.066 -13.679 18.619 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -20.890 -12.468 19.629 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -22.863 -14.880 22.751 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -22.279 -16.088 21.582 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -21.211 -14.763 22.101 1.00 0.00 H new ATOM 244 N LYS A 18 -21.596 -15.174 16.543 1.00 0.00 N ATOM 245 CA LYS A 18 -20.775 -15.379 15.356 1.00 0.00 C ATOM 246 C LYS A 18 -21.447 -16.351 14.391 1.00 0.00 C ATOM 247 O LYS A 18 -22.065 -17.329 14.811 1.00 0.00 O ATOM 248 CB LYS A 18 -19.394 -15.908 15.749 1.00 0.00 C ATOM 249 CG LYS A 18 -18.325 -15.659 14.699 1.00 0.00 C ATOM 250 CD LYS A 18 -16.933 -15.668 15.307 1.00 0.00 C ATOM 251 CE LYS A 18 -16.636 -14.368 16.038 1.00 0.00 C ATOM 252 NZ LYS A 18 -15.172 -14.140 16.192 1.00 0.00 N ATOM 0 H LYS A 18 -21.903 -16.035 16.996 1.00 0.00 H new ATOM 0 HA LYS A 18 -20.660 -14.418 14.855 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -19.088 -15.440 16.685 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -19.465 -16.979 15.936 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.390 -16.423 13.925 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.505 -14.699 14.215 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.843 -16.505 15.999 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.193 -15.823 14.522 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.078 -13.535 15.491 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.106 -14.389 17.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.011 -13.244 16.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.754 -14.922 16.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.727 -14.095 15.253 1.00 0.00 H new ATOM 266 N ALA A 19 -21.321 -16.075 13.097 1.00 0.00 N ATOM 267 CA ALA A 19 -21.913 -16.928 12.073 1.00 0.00 C ATOM 268 C ALA A 19 -21.145 -16.822 10.760 1.00 0.00 C ATOM 269 O ALA A 19 -21.272 -15.837 10.032 1.00 0.00 O ATOM 270 CB ALA A 19 -23.375 -16.562 11.863 1.00 0.00 C ATOM 0 H ALA A 19 -20.815 -15.268 12.733 1.00 0.00 H new ATOM 0 HA ALA A 19 -21.854 -17.961 12.416 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -23.805 -17.206 11.096 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -23.921 -16.695 12.797 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -23.448 -15.522 11.545 1.00 0.00 H new ATOM 276 N ARG A 20 -20.347 -17.843 10.463 1.00 0.00 N ATOM 277 CA ARG A 20 -19.557 -17.864 9.238 1.00 0.00 C ATOM 278 C ARG A 20 -19.040 -19.270 8.948 1.00 0.00 C ATOM 279 O ARG A 20 -19.101 -20.153 9.803 1.00 0.00 O ATOM 280 CB ARG A 20 -18.382 -16.890 9.347 1.00 0.00 C ATOM 281 CG ARG A 20 -17.506 -17.127 10.565 1.00 0.00 C ATOM 282 CD ARG A 20 -16.418 -18.150 10.279 1.00 0.00 C ATOM 283 NE ARG A 20 -15.636 -18.466 11.471 1.00 0.00 N ATOM 284 CZ ARG A 20 -15.707 -19.628 12.110 1.00 0.00 C ATOM 285 NH1 ARG A 20 -16.520 -20.580 11.673 1.00 0.00 N ATOM 286 NH2 ARG A 20 -14.964 -19.840 13.189 1.00 0.00 N ATOM 0 H ARG A 20 -20.231 -18.666 11.054 1.00 0.00 H new ATOM 0 HA ARG A 20 -20.201 -17.555 8.415 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.770 -16.970 8.449 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.768 -15.871 9.380 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -17.050 -16.187 10.875 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -18.122 -17.472 11.396 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.871 -19.062 9.891 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.756 -17.767 9.502 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.000 -17.755 11.833 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.093 -20.421 10.844 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.573 -21.472 12.166 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.338 -19.110 13.528 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.019 -20.733 13.679 1.00 0.00 H new ATOM 300 N GLY A 21 -18.532 -19.471 7.736 1.00 0.00 N ATOM 301 CA GLY A 21 -18.013 -20.771 7.355 1.00 0.00 C ATOM 302 C GLY A 21 -16.527 -20.738 7.060 1.00 0.00 C ATOM 303 O GLY A 21 -15.709 -20.620 7.972 1.00 0.00 O ATOM 0 H GLY A 21 -18.471 -18.756 7.011 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -18.205 -21.485 8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -18.547 -21.128 6.475 1.00 0.00 H new ATOM 307 N ALA A 22 -16.176 -20.845 5.783 1.00 0.00 N ATOM 308 CA ALA A 22 -14.778 -20.827 5.371 1.00 0.00 C ATOM 309 C ALA A 22 -14.510 -19.694 4.385 1.00 0.00 C ATOM 310 O ALA A 22 -15.113 -19.637 3.313 1.00 0.00 O ATOM 311 CB ALA A 22 -14.391 -22.165 4.758 1.00 0.00 C ATOM 0 H ALA A 22 -16.841 -20.945 5.016 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.166 -20.655 6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.344 -22.137 4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.535 -22.957 5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -15.016 -22.360 3.887 1.00 0.00 H new ATOM 317 N ARG A 23 -13.605 -18.795 4.756 1.00 0.00 N ATOM 318 CA ARG A 23 -13.260 -17.663 3.905 1.00 0.00 C ATOM 319 C ARG A 23 -11.838 -17.185 4.186 1.00 0.00 C ATOM 320 O ARG A 23 -11.515 -16.788 5.304 1.00 0.00 O ATOM 321 CB ARG A 23 -14.247 -16.514 4.123 1.00 0.00 C ATOM 322 CG ARG A 23 -15.558 -16.688 3.374 1.00 0.00 C ATOM 323 CD ARG A 23 -16.413 -15.433 3.450 1.00 0.00 C ATOM 324 NE ARG A 23 -17.549 -15.488 2.534 1.00 0.00 N ATOM 325 CZ ARG A 23 -18.655 -16.184 2.776 1.00 0.00 C ATOM 326 NH1 ARG A 23 -18.773 -16.878 3.899 1.00 0.00 N ATOM 327 NH2 ARG A 23 -19.646 -16.185 1.893 1.00 0.00 N ATOM 0 H ARG A 23 -13.097 -18.828 5.640 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.317 -17.991 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.456 -16.423 5.189 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.780 -15.580 3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.353 -16.928 2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.108 -17.531 3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.776 -15.303 4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.800 -14.562 3.216 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.490 -14.964 1.661 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.014 -16.879 4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.623 -17.411 4.082 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.559 -15.651 1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.495 -16.719 2.079 1.00 0.00 H new ATOM 341 N ALA A 24 -10.992 -17.229 3.161 1.00 0.00 N ATOM 342 CA ALA A 24 -9.605 -16.800 3.297 1.00 0.00 C ATOM 343 C ALA A 24 -9.517 -15.297 3.542 1.00 0.00 C ATOM 344 O ALA A 24 -9.852 -14.496 2.668 1.00 0.00 O ATOM 345 CB ALA A 24 -8.811 -17.182 2.057 1.00 0.00 C ATOM 0 H ALA A 24 -11.243 -17.557 2.228 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.176 -17.308 4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.777 -16.856 2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.838 -18.264 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.248 -16.700 1.182 1.00 0.00 H new ATOM 351 N ILE A 25 -9.066 -14.922 4.734 1.00 0.00 N ATOM 352 CA ILE A 25 -8.934 -13.515 5.092 1.00 0.00 C ATOM 353 C ILE A 25 -7.511 -13.192 5.533 1.00 0.00 C ATOM 354 O ILE A 25 -6.864 -13.989 6.213 1.00 0.00 O ATOM 355 CB ILE A 25 -9.910 -13.127 6.219 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.326 -13.598 5.881 1.00 0.00 C ATOM 357 CG2 ILE A 25 -9.886 -11.623 6.445 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.286 -13.510 7.047 1.00 0.00 C ATOM 0 H ILE A 25 -8.786 -15.572 5.468 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.175 -12.938 4.199 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.594 -13.618 7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.712 -12.999 5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.284 -14.630 5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.581 -11.364 7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.879 -11.313 6.725 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.181 -11.113 5.528 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.270 -13.860 6.735 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.922 -14.132 7.865 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.358 -12.475 7.382 1.00 0.00 H new ATOM 370 N LEU A 26 -7.029 -12.016 5.144 1.00 0.00 N ATOM 371 CA LEU A 26 -5.682 -11.585 5.501 1.00 0.00 C ATOM 372 C LEU A 26 -5.724 -10.326 6.361 1.00 0.00 C ATOM 373 O LEU A 26 -6.795 -9.785 6.636 1.00 0.00 O ATOM 374 CB LEU A 26 -4.857 -11.327 4.239 1.00 0.00 C ATOM 375 CG LEU A 26 -4.129 -12.538 3.654 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.102 -13.071 4.641 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.123 -13.626 3.276 1.00 0.00 C ATOM 0 H LEU A 26 -7.551 -11.344 4.581 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.213 -12.382 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.518 -10.921 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.118 -10.557 4.463 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.606 -12.223 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.594 -13.932 4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.372 -12.293 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.603 -13.371 5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.587 -14.480 2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.674 -13.939 4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.820 -13.239 2.533 1.00 0.00 H new ATOM 389 N ASP A 27 -4.551 -9.864 6.781 1.00 0.00 N ATOM 390 CA ASP A 27 -4.453 -8.667 7.607 1.00 0.00 C ATOM 391 C ASP A 27 -3.684 -7.567 6.882 1.00 0.00 C ATOM 392 O ASP A 27 -2.461 -7.633 6.750 1.00 0.00 O ATOM 393 CB ASP A 27 -3.769 -8.993 8.936 1.00 0.00 C ATOM 394 CG ASP A 27 -3.728 -7.803 9.874 1.00 0.00 C ATOM 395 OD1 ASP A 27 -3.095 -6.788 9.516 1.00 0.00 O ATOM 396 OD2 ASP A 27 -4.328 -7.886 10.966 1.00 0.00 O ATOM 0 H ASP A 27 -3.655 -10.300 6.563 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.463 -8.309 7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.296 -9.815 9.420 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.752 -9.335 8.743 1.00 0.00 H new ATOM 401 N PHE A 28 -4.408 -6.558 6.411 1.00 0.00 N ATOM 402 CA PHE A 28 -3.794 -5.444 5.697 1.00 0.00 C ATOM 403 C PHE A 28 -4.207 -4.110 6.311 1.00 0.00 C ATOM 404 O PHE A 28 -5.350 -3.915 6.724 1.00 0.00 O ATOM 405 CB PHE A 28 -4.187 -5.481 4.218 1.00 0.00 C ATOM 406 CG PHE A 28 -3.383 -6.457 3.408 1.00 0.00 C ATOM 407 CD1 PHE A 28 -2.193 -6.070 2.814 1.00 0.00 C ATOM 408 CD2 PHE A 28 -3.817 -7.762 3.241 1.00 0.00 C ATOM 409 CE1 PHE A 28 -1.450 -6.965 2.068 1.00 0.00 C ATOM 410 CE2 PHE A 28 -3.079 -8.662 2.496 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.894 -8.263 1.908 1.00 0.00 C ATOM 0 H PHE A 28 -5.421 -6.488 6.511 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.712 -5.543 5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.243 -5.738 4.137 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.068 -4.484 3.794 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.841 -5.056 2.935 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.743 -8.080 3.698 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.524 -6.650 1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.428 -9.677 2.373 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.316 -8.965 1.325 1.00 0.00 H new ATOM 421 N PRO A 29 -3.254 -3.169 6.375 1.00 0.00 N ATOM 422 CA PRO A 29 -3.493 -1.836 6.937 1.00 0.00 C ATOM 423 C PRO A 29 -4.407 -0.991 6.056 1.00 0.00 C ATOM 424 O PRO A 29 -4.542 -1.247 4.860 1.00 0.00 O ATOM 425 CB PRO A 29 -2.093 -1.221 7.000 1.00 0.00 C ATOM 426 CG PRO A 29 -1.318 -1.934 5.946 1.00 0.00 C ATOM 427 CD PRO A 29 -1.869 -3.332 5.902 1.00 0.00 C ATOM 0 HA PRO A 29 -3.995 -1.885 7.903 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.123 -0.148 6.811 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.644 -1.359 7.983 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.427 -1.441 4.980 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.254 -1.941 6.182 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.835 -3.746 4.894 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.302 -4.007 6.543 1.00 0.00 H new ATOM 435 N ASP A 30 -5.030 0.018 6.655 1.00 0.00 N ATOM 436 CA ASP A 30 -5.930 0.902 5.924 1.00 0.00 C ATOM 437 C ASP A 30 -5.205 1.578 4.765 1.00 0.00 C ATOM 438 O ASP A 30 -5.732 1.667 3.656 1.00 0.00 O ATOM 439 CB ASP A 30 -6.514 1.960 6.863 1.00 0.00 C ATOM 440 CG ASP A 30 -7.375 1.354 7.954 1.00 0.00 C ATOM 441 OD1 ASP A 30 -8.449 0.806 7.627 1.00 0.00 O ATOM 442 OD2 ASP A 30 -6.974 1.426 9.134 1.00 0.00 O ATOM 0 H ASP A 30 -4.928 0.244 7.644 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.742 0.299 5.519 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.701 2.526 7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.109 2.666 6.284 1.00 0.00 H new ATOM 447 N LYS A 31 -3.993 2.054 5.029 1.00 0.00 N ATOM 448 CA LYS A 31 -3.194 2.722 4.008 1.00 0.00 C ATOM 449 C LYS A 31 -1.711 2.677 4.362 1.00 0.00 C ATOM 450 O LYS A 31 -1.343 2.382 5.500 1.00 0.00 O ATOM 451 CB LYS A 31 -3.646 4.175 3.847 1.00 0.00 C ATOM 452 CG LYS A 31 -3.502 5.001 5.114 1.00 0.00 C ATOM 453 CD LYS A 31 -3.547 6.491 4.816 1.00 0.00 C ATOM 454 CE LYS A 31 -4.965 6.959 4.527 1.00 0.00 C ATOM 455 NZ LYS A 31 -5.057 8.444 4.470 1.00 0.00 N ATOM 0 H LYS A 31 -3.542 1.990 5.942 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.341 2.195 3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.065 4.641 3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.689 4.189 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.301 4.744 5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.560 4.755 5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.146 7.045 5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.908 6.711 3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.301 6.538 3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.636 6.583 5.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.918 8.758 4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.223 8.861 4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.095 8.752 3.477 1.00 0.00 H new ATOM 469 N LEU A 32 -0.864 2.971 3.382 1.00 0.00 N ATOM 470 CA LEU A 32 0.580 2.965 3.591 1.00 0.00 C ATOM 471 C LEU A 32 1.112 4.385 3.756 1.00 0.00 C ATOM 472 O LEU A 32 1.119 5.170 2.809 1.00 0.00 O ATOM 473 CB LEU A 32 1.281 2.279 2.418 1.00 0.00 C ATOM 474 CG LEU A 32 2.521 1.453 2.767 1.00 0.00 C ATOM 475 CD1 LEU A 32 3.464 2.254 3.651 1.00 0.00 C ATOM 476 CD2 LEU A 32 2.121 0.154 3.450 1.00 0.00 C ATOM 0 H LEU A 32 -1.152 3.217 2.435 1.00 0.00 H new ATOM 0 HA LEU A 32 0.788 2.410 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.562 1.627 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.569 3.043 1.696 1.00 0.00 H new ATOM 0 HG LEU A 32 3.043 1.208 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.340 1.651 3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.777 3.156 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.952 2.530 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.015 -0.421 3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.576 0.378 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.485 -0.427 2.782 1.00 0.00 H new ATOM 488 N ASN A 33 1.559 4.707 4.966 1.00 0.00 N ATOM 489 CA ASN A 33 2.094 6.032 5.255 1.00 0.00 C ATOM 490 C ASN A 33 3.611 6.054 5.088 1.00 0.00 C ATOM 491 O ASN A 33 4.345 5.520 5.919 1.00 0.00 O ATOM 492 CB ASN A 33 1.721 6.457 6.677 1.00 0.00 C ATOM 493 CG ASN A 33 1.787 5.305 7.661 1.00 0.00 C ATOM 494 OD1 ASN A 33 2.788 4.593 7.733 1.00 0.00 O ATOM 495 ND2 ASN A 33 0.716 5.117 8.424 1.00 0.00 N ATOM 0 H ASN A 33 1.561 4.068 5.761 1.00 0.00 H new ATOM 0 HA ASN A 33 1.657 6.735 4.546 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.393 7.250 7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.714 6.873 6.676 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.701 4.357 9.104 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.092 5.733 8.330 1.00 0.00 H new ATOM 502 N PHE A 34 4.073 6.676 4.008 1.00 0.00 N ATOM 503 CA PHE A 34 5.501 6.768 3.731 1.00 0.00 C ATOM 504 C PHE A 34 6.072 8.085 4.248 1.00 0.00 C ATOM 505 O PHE A 34 5.806 9.150 3.692 1.00 0.00 O ATOM 506 CB PHE A 34 5.760 6.642 2.229 1.00 0.00 C ATOM 507 CG PHE A 34 5.942 5.223 1.769 1.00 0.00 C ATOM 508 CD1 PHE A 34 7.187 4.617 1.824 1.00 0.00 C ATOM 509 CD2 PHE A 34 4.868 4.496 1.281 1.00 0.00 C ATOM 510 CE1 PHE A 34 7.356 3.313 1.401 1.00 0.00 C ATOM 511 CE2 PHE A 34 5.032 3.191 0.856 1.00 0.00 C ATOM 512 CZ PHE A 34 6.278 2.598 0.917 1.00 0.00 C ATOM 0 H PHE A 34 3.479 7.124 3.310 1.00 0.00 H new ATOM 0 HA PHE A 34 5.999 5.948 4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.926 7.087 1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.651 7.216 1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.034 5.170 2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.891 4.954 1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.332 2.852 1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.187 2.636 0.477 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.409 1.578 0.587 1.00 0.00 H new ATOM 522 N SER A 35 6.858 8.004 5.317 1.00 0.00 N ATOM 523 CA SER A 35 7.463 9.189 5.913 1.00 0.00 C ATOM 524 C SER A 35 8.204 10.008 4.861 1.00 0.00 C ATOM 525 O SER A 35 8.335 9.590 3.710 1.00 0.00 O ATOM 526 CB SER A 35 8.425 8.788 7.033 1.00 0.00 C ATOM 527 OG SER A 35 7.740 8.638 8.265 1.00 0.00 O ATOM 0 H SER A 35 7.091 7.130 5.788 1.00 0.00 H new ATOM 0 HA SER A 35 6.665 9.803 6.331 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.921 7.853 6.773 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.204 9.544 7.136 1.00 0.00 H new ATOM 0 HG SER A 35 8.377 8.380 8.964 1.00 0.00 H new ATOM 533 N THR A 36 8.687 11.179 5.263 1.00 0.00 N ATOM 534 CA THR A 36 9.413 12.059 4.357 1.00 0.00 C ATOM 535 C THR A 36 10.560 11.321 3.676 1.00 0.00 C ATOM 536 O THR A 36 11.481 10.840 4.338 1.00 0.00 O ATOM 537 CB THR A 36 9.975 13.288 5.096 1.00 0.00 C ATOM 538 OG1 THR A 36 8.985 13.822 5.982 1.00 0.00 O ATOM 539 CG2 THR A 36 10.412 14.360 4.109 1.00 0.00 C ATOM 0 H THR A 36 8.588 11.540 6.212 1.00 0.00 H new ATOM 0 HA THR A 36 8.700 12.393 3.603 1.00 0.00 H new ATOM 0 HB THR A 36 10.844 12.972 5.672 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.351 14.602 6.449 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.805 15.218 4.654 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.187 13.959 3.456 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.557 14.672 3.509 1.00 0.00 H new ATOM 547 N CYS A 37 10.500 11.236 2.352 1.00 0.00 N ATOM 548 CA CYS A 37 11.535 10.556 1.581 1.00 0.00 C ATOM 549 C CYS A 37 11.946 11.387 0.370 1.00 0.00 C ATOM 550 O CYS A 37 11.249 12.315 -0.042 1.00 0.00 O ATOM 551 CB CYS A 37 11.041 9.181 1.127 1.00 0.00 C ATOM 552 SG CYS A 37 11.461 7.835 2.259 1.00 0.00 S ATOM 0 H CYS A 37 9.746 11.629 1.790 1.00 0.00 H new ATOM 0 HA CYS A 37 12.406 10.428 2.223 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.958 9.217 1.008 1.00 0.00 H new ATOM 0 HB3 CYS A 37 11.462 8.961 0.146 1.00 0.00 H new ATOM 0 HG CYS A 37 10.549 6.911 2.192 1.00 0.00 H new ATOM 558 N PRO A 38 13.106 11.050 -0.212 1.00 0.00 N ATOM 559 CA PRO A 38 13.637 11.755 -1.383 1.00 0.00 C ATOM 560 C PRO A 38 12.816 11.490 -2.641 1.00 0.00 C ATOM 561 O PRO A 38 12.347 10.374 -2.865 1.00 0.00 O ATOM 562 CB PRO A 38 15.047 11.178 -1.535 1.00 0.00 C ATOM 563 CG PRO A 38 14.975 9.831 -0.901 1.00 0.00 C ATOM 564 CD PRO A 38 13.988 9.956 0.226 1.00 0.00 C ATOM 0 HA PRO A 38 13.615 12.837 -1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.335 11.107 -2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.788 11.808 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.653 9.078 -1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.952 9.521 -0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.434 9.030 0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.482 10.191 1.169 1.00 0.00 H new ATOM 572 N VAL A 39 12.646 12.524 -3.459 1.00 0.00 N ATOM 573 CA VAL A 39 11.882 12.403 -4.695 1.00 0.00 C ATOM 574 C VAL A 39 12.589 11.489 -5.690 1.00 0.00 C ATOM 575 O VAL A 39 12.075 10.431 -6.052 1.00 0.00 O ATOM 576 CB VAL A 39 11.652 13.778 -5.350 1.00 0.00 C ATOM 577 CG1 VAL A 39 12.942 14.584 -5.365 1.00 0.00 C ATOM 578 CG2 VAL A 39 11.101 13.611 -6.758 1.00 0.00 C ATOM 0 H VAL A 39 13.027 13.455 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 39 10.917 11.970 -4.430 1.00 0.00 H new ATOM 0 HB VAL A 39 10.917 14.325 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.761 15.552 -5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.290 14.733 -4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.701 14.045 -5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.944 14.592 -7.206 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.811 13.045 -7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.153 13.076 -6.716 1.00 0.00 H new ATOM 588 N LYS A 40 13.771 11.906 -6.130 1.00 0.00 N ATOM 589 CA LYS A 40 14.552 11.125 -7.083 1.00 0.00 C ATOM 590 C LYS A 40 14.812 9.720 -6.551 1.00 0.00 C ATOM 591 O LYS A 40 14.380 8.731 -7.144 1.00 0.00 O ATOM 592 CB LYS A 40 15.880 11.825 -7.379 1.00 0.00 C ATOM 593 CG LYS A 40 15.834 12.727 -8.600 1.00 0.00 C ATOM 594 CD LYS A 40 14.869 13.884 -8.402 1.00 0.00 C ATOM 595 CE LYS A 40 15.057 14.956 -9.464 1.00 0.00 C ATOM 596 NZ LYS A 40 13.808 15.732 -9.697 1.00 0.00 N ATOM 0 H LYS A 40 14.210 12.781 -5.842 1.00 0.00 H new ATOM 0 HA LYS A 40 13.978 11.044 -8.006 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.170 12.417 -6.511 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.654 11.071 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.832 13.115 -8.805 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.533 12.146 -9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.844 13.514 -8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.019 14.319 -7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.854 15.634 -9.158 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.375 14.491 -10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.978 16.452 -10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.054 15.089 -10.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.518 16.197 -8.813 1.00 0.00 H new ATOM 610 N TYR A 41 15.520 9.639 -5.430 1.00 0.00 N ATOM 611 CA TYR A 41 15.838 8.354 -4.819 1.00 0.00 C ATOM 612 C TYR A 41 14.580 7.512 -4.632 1.00 0.00 C ATOM 613 O TYR A 41 13.497 8.041 -4.380 1.00 0.00 O ATOM 614 CB TYR A 41 16.529 8.564 -3.470 1.00 0.00 C ATOM 615 CG TYR A 41 18.010 8.849 -3.586 1.00 0.00 C ATOM 616 CD1 TYR A 41 18.878 7.908 -4.126 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.540 10.059 -3.155 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.231 8.164 -4.234 1.00 0.00 C ATOM 619 CE2 TYR A 41 19.892 10.324 -3.260 1.00 0.00 C ATOM 620 CZ TYR A 41 20.733 9.373 -3.800 1.00 0.00 C ATOM 621 OH TYR A 41 22.081 9.633 -3.905 1.00 0.00 O ATOM 0 H TYR A 41 15.884 10.448 -4.926 1.00 0.00 H new ATOM 0 HA TYR A 41 16.514 7.821 -5.488 1.00 0.00 H new ATOM 0 HB2 TYR A 41 16.048 9.392 -2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.386 7.675 -2.856 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.488 6.960 -4.467 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.884 10.805 -2.731 1.00 0.00 H new ATOM 0 HE1 TYR A 41 20.892 7.422 -4.656 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.288 11.270 -2.921 1.00 0.00 H new ATOM 0 HH TYR A 41 22.270 10.529 -3.555 1.00 0.00 H new ATOM 631 N SER A 42 14.731 6.197 -4.758 1.00 0.00 N ATOM 632 CA SER A 42 13.607 5.281 -4.606 1.00 0.00 C ATOM 633 C SER A 42 13.349 4.977 -3.134 1.00 0.00 C ATOM 634 O SER A 42 14.245 5.088 -2.297 1.00 0.00 O ATOM 635 CB SER A 42 13.875 3.981 -5.368 1.00 0.00 C ATOM 636 OG SER A 42 15.065 3.360 -4.913 1.00 0.00 O ATOM 0 H SER A 42 15.620 5.743 -4.965 1.00 0.00 H new ATOM 0 HA SER A 42 12.720 5.761 -5.020 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.034 3.300 -5.239 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.955 4.191 -6.435 1.00 0.00 H new ATOM 0 HG SER A 42 15.213 2.531 -5.414 1.00 0.00 H new ATOM 642 N THR A 43 12.115 4.591 -2.823 1.00 0.00 N ATOM 643 CA THR A 43 11.736 4.271 -1.453 1.00 0.00 C ATOM 644 C THR A 43 11.350 2.803 -1.317 1.00 0.00 C ATOM 645 O THR A 43 10.756 2.222 -2.225 1.00 0.00 O ATOM 646 CB THR A 43 10.560 5.145 -0.977 1.00 0.00 C ATOM 647 OG1 THR A 43 10.900 6.531 -1.097 1.00 0.00 O ATOM 648 CG2 THR A 43 10.201 4.829 0.468 1.00 0.00 C ATOM 0 H THR A 43 11.361 4.493 -3.503 1.00 0.00 H new ATOM 0 HA THR A 43 12.607 4.474 -0.829 1.00 0.00 H new ATOM 0 HB THR A 43 9.696 4.927 -1.605 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.179 6.876 -0.223 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.368 5.458 0.782 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.915 3.780 0.551 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.062 5.022 1.107 1.00 0.00 H new ATOM 656 N GLN A 44 11.692 2.209 -0.178 1.00 0.00 N ATOM 657 CA GLN A 44 11.381 0.807 0.075 1.00 0.00 C ATOM 658 C GLN A 44 10.765 0.627 1.459 1.00 0.00 C ATOM 659 O GLN A 44 11.084 1.363 2.393 1.00 0.00 O ATOM 660 CB GLN A 44 12.643 -0.048 -0.049 1.00 0.00 C ATOM 661 CG GLN A 44 13.019 -0.371 -1.486 1.00 0.00 C ATOM 662 CD GLN A 44 13.952 0.659 -2.091 1.00 0.00 C ATOM 663 OE1 GLN A 44 14.938 1.061 -1.471 1.00 0.00 O ATOM 664 NE2 GLN A 44 13.646 1.094 -3.308 1.00 0.00 N ATOM 0 H GLN A 44 12.184 2.676 0.583 1.00 0.00 H new ATOM 0 HA GLN A 44 10.656 0.482 -0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.474 0.473 0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.496 -0.979 0.498 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.494 -1.351 -1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.113 -0.434 -2.089 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.820 0.734 -3.785 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.237 1.788 -3.765 1.00 0.00 H new ATOM 673 N LYS A 45 9.880 -0.356 1.584 1.00 0.00 N ATOM 674 CA LYS A 45 9.219 -0.634 2.854 1.00 0.00 C ATOM 675 C LYS A 45 8.730 -2.077 2.908 1.00 0.00 C ATOM 676 O LYS A 45 8.481 -2.697 1.873 1.00 0.00 O ATOM 677 CB LYS A 45 8.043 0.323 3.060 1.00 0.00 C ATOM 678 CG LYS A 45 7.717 0.581 4.521 1.00 0.00 C ATOM 679 CD LYS A 45 6.446 1.399 4.674 1.00 0.00 C ATOM 680 CE LYS A 45 6.716 2.886 4.501 1.00 0.00 C ATOM 681 NZ LYS A 45 7.196 3.512 5.764 1.00 0.00 N ATOM 0 H LYS A 45 9.604 -0.974 0.821 1.00 0.00 H new ATOM 0 HA LYS A 45 9.945 -0.485 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.268 1.272 2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.162 -0.087 2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.604 -0.369 5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.548 1.106 4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.712 1.073 3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.012 1.219 5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.460 3.032 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.805 3.385 4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.369 4.525 5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.476 3.395 6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.079 3.053 6.065 1.00 0.00 H new ATOM 695 N ILE A 46 8.593 -2.606 4.119 1.00 0.00 N ATOM 696 CA ILE A 46 8.130 -3.976 4.307 1.00 0.00 C ATOM 697 C ILE A 46 6.818 -4.012 5.083 1.00 0.00 C ATOM 698 O ILE A 46 6.644 -3.288 6.064 1.00 0.00 O ATOM 699 CB ILE A 46 9.177 -4.826 5.050 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.396 -5.069 4.157 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.567 -6.148 5.494 1.00 0.00 C ATOM 702 CD1 ILE A 46 11.443 -5.956 4.793 1.00 0.00 C ATOM 0 H ILE A 46 8.796 -2.107 4.985 1.00 0.00 H new ATOM 0 HA ILE A 46 7.972 -4.395 3.313 1.00 0.00 H new ATOM 0 HB ILE A 46 9.502 -4.282 5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.067 -5.522 3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.848 -4.110 3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.319 -6.738 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.727 -5.955 6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.217 -6.699 4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.278 -6.085 4.104 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.800 -5.495 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.007 -6.929 5.020 1.00 0.00 H new ATOM 714 N LEU A 47 5.897 -4.860 4.638 1.00 0.00 N ATOM 715 CA LEU A 47 4.600 -4.992 5.293 1.00 0.00 C ATOM 716 C LEU A 47 4.352 -6.435 5.721 1.00 0.00 C ATOM 717 O LEU A 47 4.271 -7.337 4.886 1.00 0.00 O ATOM 718 CB LEU A 47 3.484 -4.528 4.355 1.00 0.00 C ATOM 719 CG LEU A 47 2.093 -5.097 4.633 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.373 -4.262 5.680 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.278 -5.165 3.350 1.00 0.00 C ATOM 0 H LEU A 47 6.024 -5.466 3.827 1.00 0.00 H new ATOM 0 HA LEU A 47 4.603 -4.363 6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.426 -3.441 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.763 -4.788 3.334 1.00 0.00 H new ATOM 0 HG LEU A 47 2.207 -6.109 5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.385 -4.683 5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.947 -4.266 6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.270 -3.238 5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.291 -5.573 3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.173 -4.164 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.785 -5.807 2.630 1.00 0.00 H new ATOM 733 N LEU A 48 4.229 -6.646 7.027 1.00 0.00 N ATOM 734 CA LEU A 48 3.987 -7.979 7.568 1.00 0.00 C ATOM 735 C LEU A 48 2.508 -8.343 7.477 1.00 0.00 C ATOM 736 O LEU A 48 1.651 -7.640 8.013 1.00 0.00 O ATOM 737 CB LEU A 48 4.454 -8.053 9.022 1.00 0.00 C ATOM 738 CG LEU A 48 4.942 -9.421 9.501 1.00 0.00 C ATOM 739 CD1 LEU A 48 3.789 -10.411 9.556 1.00 0.00 C ATOM 740 CD2 LEU A 48 6.050 -9.939 8.595 1.00 0.00 C ATOM 0 H LEU A 48 4.293 -5.911 7.731 1.00 0.00 H new ATOM 0 HA LEU A 48 4.555 -8.695 6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.260 -7.333 9.161 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.631 -7.738 9.664 1.00 0.00 H new ATOM 0 HG LEU A 48 5.345 -9.309 10.508 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.156 -11.378 9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.029 -10.046 10.246 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.355 -10.519 8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.385 -10.913 8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.673 -10.035 7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.887 -9.241 8.608 1.00 0.00 H new ATOM 752 N VAL A 49 2.216 -9.447 6.798 1.00 0.00 N ATOM 753 CA VAL A 49 0.842 -9.907 6.640 1.00 0.00 C ATOM 754 C VAL A 49 0.640 -11.270 7.292 1.00 0.00 C ATOM 755 O VAL A 49 1.500 -12.146 7.202 1.00 0.00 O ATOM 756 CB VAL A 49 0.447 -9.997 5.154 1.00 0.00 C ATOM 757 CG1 VAL A 49 -1.053 -10.207 5.011 1.00 0.00 C ATOM 758 CG2 VAL A 49 0.893 -8.749 4.408 1.00 0.00 C ATOM 0 H VAL A 49 2.913 -10.040 6.348 1.00 0.00 H new ATOM 0 HA VAL A 49 0.204 -9.174 7.134 1.00 0.00 H new ATOM 0 HB VAL A 49 0.953 -10.856 4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.313 -10.268 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.340 -11.133 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.583 -9.371 5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.606 -8.830 3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.417 -7.873 4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.976 -8.649 4.481 1.00 0.00 H new ATOM 768 N ARG A 50 -0.503 -11.443 7.948 1.00 0.00 N ATOM 769 CA ARG A 50 -0.818 -12.700 8.616 1.00 0.00 C ATOM 770 C ARG A 50 -2.206 -13.194 8.219 1.00 0.00 C ATOM 771 O ARG A 50 -3.163 -12.421 8.181 1.00 0.00 O ATOM 772 CB ARG A 50 -0.740 -12.529 10.134 1.00 0.00 C ATOM 773 CG ARG A 50 -0.848 -13.837 10.901 1.00 0.00 C ATOM 774 CD ARG A 50 -2.296 -14.181 11.214 1.00 0.00 C ATOM 775 NE ARG A 50 -2.856 -13.308 12.242 1.00 0.00 N ATOM 776 CZ ARG A 50 -2.769 -13.555 13.544 1.00 0.00 C ATOM 777 NH1 ARG A 50 -2.147 -14.644 13.975 1.00 0.00 N ATOM 778 NH2 ARG A 50 -3.304 -12.712 14.418 1.00 0.00 N ATOM 0 H ARG A 50 -1.226 -10.728 8.031 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.084 -13.443 8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.203 -12.045 10.389 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.538 -11.861 10.457 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.400 -14.641 10.317 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.281 -13.764 11.829 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.892 -14.100 10.305 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.359 -15.218 11.545 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.341 -12.462 11.944 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.734 -15.294 13.306 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.081 -14.832 14.975 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.783 -11.873 14.090 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.237 -12.903 15.418 1.00 0.00 H new ATOM 792 N ASN A 51 -2.307 -14.486 7.924 1.00 0.00 N ATOM 793 CA ASN A 51 -3.578 -15.082 7.529 1.00 0.00 C ATOM 794 C ASN A 51 -4.471 -15.315 8.744 1.00 0.00 C ATOM 795 O ASN A 51 -4.196 -16.186 9.571 1.00 0.00 O ATOM 796 CB ASN A 51 -3.339 -16.404 6.797 1.00 0.00 C ATOM 797 CG ASN A 51 -4.431 -16.714 5.791 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.258 -15.859 5.473 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.439 -17.942 5.286 1.00 0.00 N ATOM 0 H ASN A 51 -1.525 -15.140 7.951 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.083 -14.388 6.857 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.378 -16.364 6.285 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.279 -17.213 7.525 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.150 -18.209 4.605 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.734 -18.618 5.579 1.00 0.00 H new ATOM 806 N ILE A 52 -5.539 -14.532 8.846 1.00 0.00 N ATOM 807 CA ILE A 52 -6.473 -14.655 9.958 1.00 0.00 C ATOM 808 C ILE A 52 -7.668 -15.523 9.580 1.00 0.00 C ATOM 809 O ILE A 52 -8.671 -15.560 10.291 1.00 0.00 O ATOM 810 CB ILE A 52 -6.980 -13.276 10.421 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.619 -12.524 9.252 1.00 0.00 C ATOM 812 CG2 ILE A 52 -5.841 -12.466 11.020 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.272 -11.221 9.656 1.00 0.00 C ATOM 0 H ILE A 52 -5.779 -13.805 8.172 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.929 -15.127 10.776 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.738 -13.424 11.190 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.856 -12.321 8.501 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.365 -13.165 8.783 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.216 -11.494 11.342 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.428 -12.998 11.877 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.062 -12.324 10.271 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.704 -10.743 8.777 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.058 -11.419 10.385 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.525 -10.561 10.098 1.00 0.00 H new ATOM 825 N GLY A 53 -7.551 -16.224 8.456 1.00 0.00 N ATOM 826 CA GLY A 53 -8.628 -17.085 8.004 1.00 0.00 C ATOM 827 C GLY A 53 -8.526 -18.488 8.568 1.00 0.00 C ATOM 828 O GLY A 53 -7.716 -18.748 9.458 1.00 0.00 O ATOM 0 H GLY A 53 -6.730 -16.211 7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.584 -16.649 8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.618 -17.133 6.915 1.00 0.00 H new ATOM 832 N ASN A 54 -9.349 -19.394 8.052 1.00 0.00 N ATOM 833 CA ASN A 54 -9.349 -20.777 8.512 1.00 0.00 C ATOM 834 C ASN A 54 -8.644 -21.684 7.509 1.00 0.00 C ATOM 835 O ASN A 54 -7.950 -22.628 7.888 1.00 0.00 O ATOM 836 CB ASN A 54 -10.783 -21.263 8.735 1.00 0.00 C ATOM 837 CG ASN A 54 -11.755 -20.674 7.732 1.00 0.00 C ATOM 838 OD1 ASN A 54 -11.595 -20.842 6.523 1.00 0.00 O ATOM 839 ND2 ASN A 54 -12.771 -19.979 8.231 1.00 0.00 N ATOM 0 H ASN A 54 -10.025 -19.195 7.315 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.807 -20.819 9.457 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.810 -22.351 8.667 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.101 -20.998 9.743 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.458 -19.559 7.605 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.864 -19.865 9.240 1.00 0.00 H new ATOM 846 N LYS A 55 -8.825 -21.391 6.225 1.00 0.00 N ATOM 847 CA LYS A 55 -8.205 -22.178 5.165 1.00 0.00 C ATOM 848 C LYS A 55 -7.115 -21.377 4.460 1.00 0.00 C ATOM 849 O LYS A 55 -6.936 -20.189 4.723 1.00 0.00 O ATOM 850 CB LYS A 55 -9.260 -22.626 4.151 1.00 0.00 C ATOM 851 CG LYS A 55 -9.916 -23.950 4.502 1.00 0.00 C ATOM 852 CD LYS A 55 -10.859 -23.809 5.685 1.00 0.00 C ATOM 853 CE LYS A 55 -11.379 -25.162 6.148 1.00 0.00 C ATOM 854 NZ LYS A 55 -10.467 -25.797 7.138 1.00 0.00 N ATOM 0 H LYS A 55 -9.396 -20.614 5.893 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.749 -23.058 5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.029 -21.857 4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.795 -22.709 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.467 -24.324 3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.148 -24.688 4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.341 -23.316 6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.698 -23.171 5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.367 -25.039 6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.496 -25.820 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.856 -26.717 7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.531 -25.938 6.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.376 -25.181 7.971 1.00 0.00 H new ATOM 868 N ASN A 56 -6.389 -22.037 3.563 1.00 0.00 N ATOM 869 CA ASN A 56 -5.317 -21.385 2.819 1.00 0.00 C ATOM 870 C ASN A 56 -5.838 -20.160 2.075 1.00 0.00 C ATOM 871 O ASN A 56 -6.809 -20.243 1.323 1.00 0.00 O ATOM 872 CB ASN A 56 -4.686 -22.367 1.830 1.00 0.00 C ATOM 873 CG ASN A 56 -5.438 -22.427 0.515 1.00 0.00 C ATOM 874 OD1 ASN A 56 -6.617 -22.782 0.477 1.00 0.00 O ATOM 875 ND2 ASN A 56 -4.759 -22.079 -0.572 1.00 0.00 N ATOM 0 H ASN A 56 -6.523 -23.022 3.334 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.559 -21.059 3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.653 -22.075 1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.660 -23.361 2.276 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.213 -22.099 -1.485 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.784 -21.791 -0.494 1.00 0.00 H new ATOM 882 N ALA A 57 -5.185 -19.022 2.289 1.00 0.00 N ATOM 883 CA ALA A 57 -5.580 -17.780 1.637 1.00 0.00 C ATOM 884 C ALA A 57 -4.731 -17.516 0.399 1.00 0.00 C ATOM 885 O ALA A 57 -3.504 -17.619 0.441 1.00 0.00 O ATOM 886 CB ALA A 57 -5.473 -16.615 2.611 1.00 0.00 C ATOM 0 H ALA A 57 -4.380 -18.935 2.909 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.618 -17.880 1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.771 -15.694 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.128 -16.793 3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.443 -16.523 2.957 1.00 0.00 H new ATOM 892 N VAL A 58 -5.390 -17.176 -0.704 1.00 0.00 N ATOM 893 CA VAL A 58 -4.696 -16.897 -1.955 1.00 0.00 C ATOM 894 C VAL A 58 -5.030 -15.502 -2.470 1.00 0.00 C ATOM 895 O VAL A 58 -6.183 -15.203 -2.781 1.00 0.00 O ATOM 896 CB VAL A 58 -5.054 -17.932 -3.039 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.371 -17.587 -4.353 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.675 -19.333 -2.583 1.00 0.00 C ATOM 0 H VAL A 58 -6.405 -17.087 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.628 -16.957 -1.744 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.132 -17.906 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.636 -18.329 -5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.697 -16.601 -4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.290 -17.583 -4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.935 -20.051 -3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.603 -19.376 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.216 -19.577 -1.669 1.00 0.00 H new ATOM 908 N PHE A 59 -4.013 -14.651 -2.558 1.00 0.00 N ATOM 909 CA PHE A 59 -4.199 -13.285 -3.035 1.00 0.00 C ATOM 910 C PHE A 59 -3.280 -12.993 -4.218 1.00 0.00 C ATOM 911 O PHE A 59 -2.332 -13.734 -4.481 1.00 0.00 O ATOM 912 CB PHE A 59 -3.930 -12.287 -1.907 1.00 0.00 C ATOM 913 CG PHE A 59 -2.563 -12.425 -1.299 1.00 0.00 C ATOM 914 CD1 PHE A 59 -1.477 -11.762 -1.846 1.00 0.00 C ATOM 915 CD2 PHE A 59 -2.366 -13.216 -0.179 1.00 0.00 C ATOM 916 CE1 PHE A 59 -0.219 -11.887 -1.288 1.00 0.00 C ATOM 917 CE2 PHE A 59 -1.110 -13.345 0.384 1.00 0.00 C ATOM 918 CZ PHE A 59 -0.035 -12.679 -0.171 1.00 0.00 C ATOM 0 H PHE A 59 -3.052 -14.883 -2.306 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.232 -13.179 -3.365 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.047 -11.274 -2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.681 -12.420 -1.128 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.615 -11.140 -2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.204 -13.738 0.260 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.620 -11.366 -1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.970 -13.966 1.257 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.947 -12.777 0.267 1.00 0.00 H new ATOM 928 N HIS A 60 -3.568 -11.908 -4.930 1.00 0.00 N ATOM 929 CA HIS A 60 -2.769 -11.516 -6.085 1.00 0.00 C ATOM 930 C HIS A 60 -2.835 -10.008 -6.306 1.00 0.00 C ATOM 931 O HIS A 60 -3.825 -9.489 -6.821 1.00 0.00 O ATOM 932 CB HIS A 60 -3.252 -12.248 -7.338 1.00 0.00 C ATOM 933 CG HIS A 60 -2.490 -11.884 -8.575 1.00 0.00 C ATOM 934 ND1 HIS A 60 -2.573 -12.603 -9.749 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.628 -10.869 -8.818 1.00 0.00 C ATOM 936 CE1 HIS A 60 -1.794 -12.047 -10.659 1.00 0.00 C ATOM 937 NE2 HIS A 60 -1.210 -10.992 -10.120 1.00 0.00 N ATOM 0 H HIS A 60 -4.349 -11.285 -4.727 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.733 -11.791 -5.888 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.172 -13.323 -7.175 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.308 -12.027 -7.493 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -3.146 -13.434 -9.892 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.325 -10.104 -8.118 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.658 -12.396 -11.672 1.00 0.00 H new ATOM 946 N ILE A 61 -1.774 -9.310 -5.911 1.00 0.00 N ATOM 947 CA ILE A 61 -1.713 -7.862 -6.067 1.00 0.00 C ATOM 948 C ILE A 61 -0.959 -7.477 -7.335 1.00 0.00 C ATOM 949 O ILE A 61 0.015 -8.129 -7.714 1.00 0.00 O ATOM 950 CB ILE A 61 -1.033 -7.195 -4.856 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.663 -7.692 -3.553 1.00 0.00 C ATOM 952 CG2 ILE A 61 -1.139 -5.681 -4.958 1.00 0.00 C ATOM 953 CD1 ILE A 61 -0.785 -7.480 -2.339 1.00 0.00 C ATOM 0 H ILE A 61 -0.947 -9.724 -5.481 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.741 -7.508 -6.138 1.00 0.00 H new ATOM 0 HB ILE A 61 0.023 -7.467 -4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.612 -7.179 -3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.887 -8.755 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.654 -5.223 -4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.650 -5.343 -5.871 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.189 -5.390 -4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.294 -7.855 -1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.155 -8.016 -2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.582 -6.416 -2.218 1.00 0.00 H new ATOM 965 N LYS A 62 -1.413 -6.412 -7.986 1.00 0.00 N ATOM 966 CA LYS A 62 -0.781 -5.936 -9.211 1.00 0.00 C ATOM 967 C LYS A 62 -0.847 -4.415 -9.302 1.00 0.00 C ATOM 968 O LYS A 62 -1.857 -3.805 -8.950 1.00 0.00 O ATOM 969 CB LYS A 62 -1.456 -6.561 -10.434 1.00 0.00 C ATOM 970 CG LYS A 62 -0.821 -7.868 -10.877 1.00 0.00 C ATOM 971 CD LYS A 62 0.571 -7.648 -11.444 1.00 0.00 C ATOM 972 CE LYS A 62 1.219 -8.961 -11.855 1.00 0.00 C ATOM 973 NZ LYS A 62 0.532 -9.577 -13.024 1.00 0.00 N ATOM 0 H LYS A 62 -2.217 -5.861 -7.686 1.00 0.00 H new ATOM 0 HA LYS A 62 0.267 -6.236 -9.190 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.508 -6.736 -10.208 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.421 -5.851 -11.260 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.766 -8.552 -10.030 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.451 -8.343 -11.630 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.513 -6.984 -12.306 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.194 -7.151 -10.700 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.267 -8.788 -12.100 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.198 -9.655 -11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.089 -10.385 -13.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.413 -9.905 -12.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.439 -8.872 -13.783 1.00 0.00 H new ATOM 987 N THR A 63 0.235 -3.807 -9.778 1.00 0.00 N ATOM 988 CA THR A 63 0.299 -2.357 -9.915 1.00 0.00 C ATOM 989 C THR A 63 1.410 -1.945 -10.874 1.00 0.00 C ATOM 990 O THR A 63 2.213 -2.774 -11.302 1.00 0.00 O ATOM 991 CB THR A 63 0.531 -1.674 -8.554 1.00 0.00 C ATOM 992 OG1 THR A 63 0.412 -0.253 -8.693 1.00 0.00 O ATOM 993 CG2 THR A 63 1.905 -2.021 -8.001 1.00 0.00 C ATOM 0 H THR A 63 1.079 -4.296 -10.075 1.00 0.00 H new ATOM 0 HA THR A 63 -0.662 -2.034 -10.316 1.00 0.00 H new ATOM 0 HB THR A 63 -0.225 -2.036 -7.857 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.559 0.174 -7.823 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.046 -1.527 -7.040 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.982 -3.100 -7.869 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.673 -1.685 -8.697 1.00 0.00 H new ATOM 1001 N CYS A 64 1.451 -0.659 -11.206 1.00 0.00 N ATOM 1002 CA CYS A 64 2.465 -0.136 -12.116 1.00 0.00 C ATOM 1003 C CYS A 64 3.186 1.057 -11.498 1.00 0.00 C ATOM 1004 O CYS A 64 2.670 1.701 -10.584 1.00 0.00 O ATOM 1005 CB CYS A 64 1.827 0.270 -13.445 1.00 0.00 C ATOM 1006 SG CYS A 64 0.556 1.547 -13.294 1.00 0.00 S ATOM 0 H CYS A 64 0.795 0.040 -10.859 1.00 0.00 H new ATOM 0 HA CYS A 64 3.196 -0.924 -12.299 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.608 0.627 -14.116 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.387 -0.613 -13.909 1.00 0.00 H new ATOM 0 HG CYS A 64 0.078 1.824 -14.471 1.00 0.00 H new ATOM 1012 N ARG A 65 4.381 1.346 -12.002 1.00 0.00 N ATOM 1013 CA ARG A 65 5.174 2.460 -11.497 1.00 0.00 C ATOM 1014 C ARG A 65 4.357 3.749 -11.490 1.00 0.00 C ATOM 1015 O ARG A 65 3.325 3.862 -12.150 1.00 0.00 O ATOM 1016 CB ARG A 65 6.432 2.645 -12.349 1.00 0.00 C ATOM 1017 CG ARG A 65 7.648 1.914 -11.806 1.00 0.00 C ATOM 1018 CD ARG A 65 8.841 2.048 -12.738 1.00 0.00 C ATOM 1019 NE ARG A 65 9.892 1.083 -12.426 1.00 0.00 N ATOM 1020 CZ ARG A 65 10.783 0.653 -13.312 1.00 0.00 C ATOM 1021 NH1 ARG A 65 10.751 1.101 -14.560 1.00 0.00 N ATOM 1022 NH2 ARG A 65 11.709 -0.226 -12.952 1.00 0.00 N ATOM 0 H ARG A 65 4.821 0.824 -12.760 1.00 0.00 H new ATOM 0 HA ARG A 65 5.468 2.231 -10.473 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.230 2.294 -13.361 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.660 3.709 -12.420 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.905 2.313 -10.825 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.409 0.859 -11.669 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.514 1.907 -13.768 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.244 3.058 -12.667 1.00 0.00 H new ATOM 0 HE ARG A 65 9.945 0.719 -11.475 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.041 1.777 -14.841 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.436 0.769 -15.239 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.738 -0.573 -11.993 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.392 -0.555 -13.634 1.00 0.00 H new ATOM 1036 N PRO A 66 4.830 4.745 -10.725 1.00 0.00 N ATOM 1037 CA PRO A 66 6.058 4.621 -9.934 1.00 0.00 C ATOM 1038 C PRO A 66 5.897 3.663 -8.759 1.00 0.00 C ATOM 1039 O PRO A 66 6.850 3.396 -8.027 1.00 0.00 O ATOM 1040 CB PRO A 66 6.301 6.047 -9.432 1.00 0.00 C ATOM 1041 CG PRO A 66 4.954 6.681 -9.425 1.00 0.00 C ATOM 1042 CD PRO A 66 4.201 6.067 -10.573 1.00 0.00 C ATOM 0 HA PRO A 66 6.882 4.214 -10.521 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.743 6.046 -8.436 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.988 6.585 -10.085 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.442 6.499 -8.480 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.031 7.762 -9.542 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.136 5.983 -10.356 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.295 6.664 -11.480 1.00 0.00 H new ATOM 1050 N PHE A 67 4.684 3.147 -8.584 1.00 0.00 N ATOM 1051 CA PHE A 67 4.398 2.219 -7.496 1.00 0.00 C ATOM 1052 C PHE A 67 4.485 0.774 -7.979 1.00 0.00 C ATOM 1053 O PHE A 67 3.856 0.399 -8.968 1.00 0.00 O ATOM 1054 CB PHE A 67 3.009 2.492 -6.916 1.00 0.00 C ATOM 1055 CG PHE A 67 3.006 3.532 -5.833 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.542 3.255 -4.586 1.00 0.00 C ATOM 1057 CD2 PHE A 67 2.467 4.788 -6.062 1.00 0.00 C ATOM 1058 CE1 PHE A 67 3.541 4.210 -3.587 1.00 0.00 C ATOM 1059 CE2 PHE A 67 2.464 5.747 -5.067 1.00 0.00 C ATOM 1060 CZ PHE A 67 3.000 5.457 -3.827 1.00 0.00 C ATOM 0 H PHE A 67 3.884 3.356 -9.181 1.00 0.00 H new ATOM 0 HA PHE A 67 5.145 2.370 -6.717 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.345 2.813 -7.719 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.601 1.563 -6.518 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.966 2.281 -4.392 1.00 0.00 H new ATOM 0 HD2 PHE A 67 2.045 5.020 -7.029 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.963 3.981 -2.620 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.043 6.723 -5.259 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.996 6.204 -3.047 1.00 0.00 H new ATOM 1070 N SER A 68 5.270 -0.033 -7.272 1.00 0.00 N ATOM 1071 CA SER A 68 5.444 -1.437 -7.630 1.00 0.00 C ATOM 1072 C SER A 68 5.912 -2.250 -6.427 1.00 0.00 C ATOM 1073 O SER A 68 6.831 -1.848 -5.712 1.00 0.00 O ATOM 1074 CB SER A 68 6.450 -1.572 -8.774 1.00 0.00 C ATOM 1075 OG SER A 68 6.100 -0.735 -9.863 1.00 0.00 O ATOM 0 H SER A 68 5.795 0.261 -6.449 1.00 0.00 H new ATOM 0 HA SER A 68 4.479 -1.826 -7.956 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.447 -1.313 -8.418 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.490 -2.609 -9.107 1.00 0.00 H new ATOM 0 HG SER A 68 5.149 -0.507 -9.808 1.00 0.00 H new ATOM 1081 N ILE A 69 5.273 -3.394 -6.210 1.00 0.00 N ATOM 1082 CA ILE A 69 5.624 -4.265 -5.094 1.00 0.00 C ATOM 1083 C ILE A 69 5.820 -5.704 -5.561 1.00 0.00 C ATOM 1084 O ILE A 69 5.529 -6.039 -6.708 1.00 0.00 O ATOM 1085 CB ILE A 69 4.544 -4.236 -3.996 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.498 -5.323 -4.250 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.887 -2.865 -3.936 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.702 -5.111 -5.518 1.00 0.00 C ATOM 0 H ILE A 69 4.510 -3.740 -6.792 1.00 0.00 H new ATOM 0 HA ILE A 69 6.560 -3.888 -4.681 1.00 0.00 H new ATOM 0 HB ILE A 69 5.019 -4.433 -3.035 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.997 -6.291 -4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.813 -5.362 -3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.126 -2.860 -3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.641 -2.110 -3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.423 -2.642 -4.897 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.980 -5.919 -5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.175 -4.159 -5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.377 -5.102 -6.374 1.00 0.00 H new ATOM 1100 N GLU A 70 6.313 -6.549 -4.662 1.00 0.00 N ATOM 1101 CA GLU A 70 6.547 -7.953 -4.981 1.00 0.00 C ATOM 1102 C GLU A 70 6.835 -8.758 -3.718 1.00 0.00 C ATOM 1103 O GLU A 70 7.346 -8.240 -2.724 1.00 0.00 O ATOM 1104 CB GLU A 70 7.713 -8.088 -5.962 1.00 0.00 C ATOM 1105 CG GLU A 70 9.069 -7.803 -5.339 1.00 0.00 C ATOM 1106 CD GLU A 70 9.415 -6.327 -5.344 1.00 0.00 C ATOM 1107 OE1 GLU A 70 9.880 -5.831 -6.391 1.00 0.00 O ATOM 1108 OE2 GLU A 70 9.222 -5.668 -4.301 1.00 0.00 O ATOM 0 H GLU A 70 6.558 -6.287 -3.707 1.00 0.00 H new ATOM 0 HA GLU A 70 5.643 -8.349 -5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.716 -9.098 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.555 -7.405 -6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.078 -8.171 -4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.837 -8.354 -5.882 1.00 0.00 H new ATOM 1115 N PRO A 71 6.500 -10.056 -3.754 1.00 0.00 N ATOM 1116 CA PRO A 71 5.891 -10.683 -4.931 1.00 0.00 C ATOM 1117 C PRO A 71 4.462 -10.206 -5.168 1.00 0.00 C ATOM 1118 O PRO A 71 3.633 -10.223 -4.258 1.00 0.00 O ATOM 1119 CB PRO A 71 5.906 -12.175 -4.586 1.00 0.00 C ATOM 1120 CG PRO A 71 5.912 -12.219 -3.097 1.00 0.00 C ATOM 1121 CD PRO A 71 6.688 -11.012 -2.650 1.00 0.00 C ATOM 0 HA PRO A 71 6.428 -10.438 -5.847 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.033 -12.684 -4.994 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.785 -12.668 -5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.896 -12.198 -2.702 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.376 -13.137 -2.736 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.309 -10.617 -1.708 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.741 -11.246 -2.496 1.00 0.00 H new ATOM 1129 N ALA A 72 4.180 -9.782 -6.396 1.00 0.00 N ATOM 1130 CA ALA A 72 2.850 -9.303 -6.752 1.00 0.00 C ATOM 1131 C ALA A 72 1.781 -10.326 -6.382 1.00 0.00 C ATOM 1132 O ALA A 72 0.616 -9.976 -6.189 1.00 0.00 O ATOM 1133 CB ALA A 72 2.785 -8.984 -8.238 1.00 0.00 C ATOM 0 H ALA A 72 4.855 -9.761 -7.161 1.00 0.00 H new ATOM 0 HA ALA A 72 2.655 -8.392 -6.186 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.786 -8.627 -8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.517 -8.212 -8.477 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.005 -9.883 -8.813 1.00 0.00 H new ATOM 1139 N ILE A 73 2.184 -11.588 -6.285 1.00 0.00 N ATOM 1140 CA ILE A 73 1.260 -12.660 -5.937 1.00 0.00 C ATOM 1141 C ILE A 73 1.929 -13.693 -5.037 1.00 0.00 C ATOM 1142 O ILE A 73 3.124 -13.957 -5.160 1.00 0.00 O ATOM 1143 CB ILE A 73 0.718 -13.366 -7.194 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.102 -14.596 -6.801 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.862 -13.757 -8.117 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -0.794 -15.260 -7.971 1.00 0.00 C ATOM 0 H ILE A 73 3.144 -11.893 -6.443 1.00 0.00 H new ATOM 0 HA ILE A 73 0.430 -12.199 -5.402 1.00 0.00 H new ATOM 0 HB ILE A 73 0.067 -12.675 -7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.554 -15.321 -6.318 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.851 -14.303 -6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.463 -14.255 -9.001 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.407 -12.863 -8.419 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.537 -14.434 -7.593 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.356 -16.124 -7.618 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.475 -14.551 -8.441 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.049 -15.584 -8.698 1.00 0.00 H new ATOM 1158 N GLY A 74 1.149 -14.276 -4.132 1.00 0.00 N ATOM 1159 CA GLY A 74 1.683 -15.275 -3.225 1.00 0.00 C ATOM 1160 C GLY A 74 0.607 -15.921 -2.375 1.00 0.00 C ATOM 1161 O GLY A 74 -0.569 -15.568 -2.474 1.00 0.00 O ATOM 0 H GLY A 74 0.157 -14.074 -4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.198 -16.045 -3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.425 -14.812 -2.575 1.00 0.00 H new ATOM 1165 N THR A 75 1.008 -16.871 -1.536 1.00 0.00 N ATOM 1166 CA THR A 75 0.070 -17.570 -0.668 1.00 0.00 C ATOM 1167 C THR A 75 0.548 -17.560 0.780 1.00 0.00 C ATOM 1168 O THR A 75 1.750 -17.554 1.047 1.00 0.00 O ATOM 1169 CB THR A 75 -0.134 -19.029 -1.119 1.00 0.00 C ATOM 1170 OG1 THR A 75 1.135 -19.671 -1.288 1.00 0.00 O ATOM 1171 CG2 THR A 75 -0.915 -19.088 -2.422 1.00 0.00 C ATOM 0 H THR A 75 1.977 -17.174 -1.440 1.00 0.00 H new ATOM 0 HA THR A 75 -0.880 -17.040 -0.738 1.00 0.00 H new ATOM 0 HB THR A 75 -0.704 -19.548 -0.349 1.00 0.00 H new ATOM 0 HG1 THR A 75 0.997 -20.598 -1.573 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.047 -20.128 -2.721 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.891 -18.624 -2.282 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.368 -18.554 -3.199 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.399 -17.558 1.711 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.075 -17.549 3.133 1.00 0.00 C ATOM 1181 C LEU A 76 -0.839 -18.642 3.873 1.00 0.00 C ATOM 1182 O LEU A 76 -1.942 -19.018 3.478 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.398 -16.183 3.742 1.00 0.00 C ATOM 1184 CG LEU A 76 0.332 -15.837 5.040 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.838 -15.894 4.837 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -0.090 -14.463 5.539 1.00 0.00 C ATOM 0 H LEU A 76 -1.398 -17.562 1.507 1.00 0.00 H new ATOM 0 HA LEU A 76 0.992 -17.743 3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.168 -15.415 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.471 -16.135 3.928 1.00 0.00 H new ATOM 0 HG LEU A 76 0.060 -16.575 5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.341 -15.645 5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.126 -16.899 4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.129 -15.179 4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.439 -14.233 6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.152 -13.713 4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.164 -14.457 5.725 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.246 -19.146 4.950 1.00 0.00 N ATOM 1199 CA ASN A 77 -0.872 -20.195 5.747 1.00 0.00 C ATOM 1200 C ASN A 77 -1.750 -19.596 6.841 1.00 0.00 C ATOM 1201 O ASN A 77 -1.581 -18.438 7.223 1.00 0.00 O ATOM 1202 CB ASN A 77 0.196 -21.096 6.371 1.00 0.00 C ATOM 1203 CG ASN A 77 1.043 -21.798 5.326 1.00 0.00 C ATOM 1204 OD1 ASN A 77 0.548 -22.632 4.568 1.00 0.00 O ATOM 1205 ND2 ASN A 77 2.327 -21.463 5.283 1.00 0.00 N ATOM 0 H ASN A 77 0.667 -18.845 5.291 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.501 -20.792 5.087 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.841 -20.498 7.015 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.286 -21.841 7.005 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.946 -21.902 4.602 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.694 -20.766 5.931 1.00 0.00 H new ATOM 1212 N VAL A 78 -2.688 -20.393 7.342 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.593 -19.943 8.393 1.00 0.00 C ATOM 1214 C VAL A 78 -2.896 -19.931 9.749 1.00 0.00 C ATOM 1215 O VAL A 78 -3.547 -19.906 10.793 1.00 0.00 O ATOM 1216 CB VAL A 78 -4.844 -20.838 8.479 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.656 -20.745 7.196 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -4.449 -22.279 8.765 1.00 0.00 C ATOM 0 H VAL A 78 -2.841 -21.354 7.037 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.899 -18.929 8.135 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.466 -20.485 9.302 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.536 -21.384 7.275 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.970 -19.713 7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.045 -21.071 6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.345 -22.897 8.822 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.806 -22.646 7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.913 -22.328 9.713 1.00 0.00 H new ATOM 1228 N GLY A 79 -1.567 -19.950 9.726 1.00 0.00 N ATOM 1229 CA GLY A 79 -0.803 -19.941 10.960 1.00 0.00 C ATOM 1230 C GLY A 79 0.602 -19.405 10.768 1.00 0.00 C ATOM 1231 O GLY A 79 1.467 -19.595 11.623 1.00 0.00 O ATOM 0 H GLY A 79 -1.006 -19.971 8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.322 -19.333 11.701 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.751 -20.954 11.359 1.00 0.00 H new ATOM 1235 N GLU A 80 0.830 -18.736 9.642 1.00 0.00 N ATOM 1236 CA GLU A 80 2.141 -18.174 9.341 1.00 0.00 C ATOM 1237 C GLU A 80 2.007 -16.843 8.608 1.00 0.00 C ATOM 1238 O GLU A 80 1.141 -16.679 7.749 1.00 0.00 O ATOM 1239 CB GLU A 80 2.959 -19.154 8.496 1.00 0.00 C ATOM 1240 CG GLU A 80 2.865 -20.594 8.973 1.00 0.00 C ATOM 1241 CD GLU A 80 4.155 -21.363 8.762 1.00 0.00 C ATOM 1242 OE1 GLU A 80 5.237 -20.779 8.980 1.00 0.00 O ATOM 1243 OE2 GLU A 80 4.082 -22.549 8.379 1.00 0.00 O ATOM 0 H GLU A 80 0.125 -18.570 8.924 1.00 0.00 H new ATOM 0 HA GLU A 80 2.658 -17.999 10.284 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.620 -19.100 7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.004 -18.844 8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.608 -20.606 10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.056 -21.096 8.443 1.00 0.00 H new ATOM 1250 N SER A 81 2.871 -15.893 8.955 1.00 0.00 N ATOM 1251 CA SER A 81 2.847 -14.574 8.334 1.00 0.00 C ATOM 1252 C SER A 81 3.922 -14.461 7.258 1.00 0.00 C ATOM 1253 O SER A 81 4.719 -15.378 7.062 1.00 0.00 O ATOM 1254 CB SER A 81 3.050 -13.486 9.390 1.00 0.00 C ATOM 1255 OG SER A 81 2.314 -13.774 10.566 1.00 0.00 O ATOM 0 H SER A 81 3.596 -16.013 9.663 1.00 0.00 H new ATOM 0 HA SER A 81 1.872 -14.438 7.865 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.110 -13.402 9.632 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.738 -12.522 8.988 1.00 0.00 H new ATOM 0 HG SER A 81 2.462 -13.065 11.226 1.00 0.00 H new ATOM 1261 N MET A 82 3.938 -13.328 6.563 1.00 0.00 N ATOM 1262 CA MET A 82 4.916 -13.093 5.507 1.00 0.00 C ATOM 1263 C MET A 82 5.272 -11.613 5.415 1.00 0.00 C ATOM 1264 O MET A 82 4.636 -10.772 6.050 1.00 0.00 O ATOM 1265 CB MET A 82 4.374 -13.583 4.162 1.00 0.00 C ATOM 1266 CG MET A 82 3.129 -12.842 3.702 1.00 0.00 C ATOM 1267 SD MET A 82 2.285 -13.677 2.346 1.00 0.00 S ATOM 1268 CE MET A 82 3.381 -13.299 0.981 1.00 0.00 C ATOM 0 H MET A 82 3.285 -12.559 6.712 1.00 0.00 H new ATOM 0 HA MET A 82 5.819 -13.652 5.752 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.151 -13.475 3.405 1.00 0.00 H new ATOM 0 HB3 MET A 82 4.147 -14.646 4.237 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.443 -12.737 4.542 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.405 -11.835 3.388 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.794 -12.973 0.123 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.067 -12.505 1.275 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.950 -14.189 0.714 1.00 0.00 H new ATOM 1278 N GLN A 83 6.293 -11.302 4.622 1.00 0.00 N ATOM 1279 CA GLN A 83 6.734 -9.923 4.450 1.00 0.00 C ATOM 1280 C GLN A 83 6.608 -9.490 2.993 1.00 0.00 C ATOM 1281 O GLN A 83 7.174 -10.117 2.097 1.00 0.00 O ATOM 1282 CB GLN A 83 8.181 -9.766 4.918 1.00 0.00 C ATOM 1283 CG GLN A 83 8.317 -9.565 6.419 1.00 0.00 C ATOM 1284 CD GLN A 83 9.762 -9.508 6.872 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.600 -10.287 6.414 1.00 0.00 O ATOM 1286 NE2 GLN A 83 10.064 -8.584 7.776 1.00 0.00 N ATOM 0 H GLN A 83 6.830 -11.986 4.089 1.00 0.00 H new ATOM 0 HA GLN A 83 6.093 -9.284 5.057 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.747 -10.651 4.626 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.630 -8.916 4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.814 -8.641 6.705 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.809 -10.378 6.938 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.339 -7.959 8.129 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.021 -8.499 8.118 1.00 0.00 H new ATOM 1295 N LEU A 84 5.863 -8.414 2.764 1.00 0.00 N ATOM 1296 CA LEU A 84 5.662 -7.896 1.415 1.00 0.00 C ATOM 1297 C LEU A 84 6.370 -6.557 1.235 1.00 0.00 C ATOM 1298 O LEU A 84 6.029 -5.572 1.888 1.00 0.00 O ATOM 1299 CB LEU A 84 4.169 -7.740 1.124 1.00 0.00 C ATOM 1300 CG LEU A 84 3.349 -9.031 1.108 1.00 0.00 C ATOM 1301 CD1 LEU A 84 1.879 -8.727 0.868 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.878 -9.985 0.047 1.00 0.00 C ATOM 0 H LEU A 84 5.388 -7.884 3.495 1.00 0.00 H new ATOM 0 HA LEU A 84 6.090 -8.610 0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.742 -7.071 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.057 -7.250 0.157 1.00 0.00 H new ATOM 0 HG LEU A 84 3.445 -9.512 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.312 -9.658 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.506 -8.082 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.764 -8.223 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.283 -10.898 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.812 -9.512 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.918 -10.229 0.263 1.00 0.00 H new ATOM 1314 N GLU A 85 7.355 -6.529 0.343 1.00 0.00 N ATOM 1315 CA GLU A 85 8.109 -5.310 0.077 1.00 0.00 C ATOM 1316 C GLU A 85 7.402 -4.449 -0.966 1.00 0.00 C ATOM 1317 O GLU A 85 6.873 -4.959 -1.954 1.00 0.00 O ATOM 1318 CB GLU A 85 9.522 -5.651 -0.402 1.00 0.00 C ATOM 1319 CG GLU A 85 10.544 -5.722 0.720 1.00 0.00 C ATOM 1320 CD GLU A 85 10.473 -7.024 1.494 1.00 0.00 C ATOM 1321 OE1 GLU A 85 9.419 -7.691 1.434 1.00 0.00 O ATOM 1322 OE2 GLU A 85 11.469 -7.375 2.159 1.00 0.00 O ATOM 0 H GLU A 85 7.649 -7.336 -0.207 1.00 0.00 H new ATOM 0 HA GLU A 85 8.174 -4.745 1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.499 -6.608 -0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.842 -4.902 -1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.544 -5.606 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.385 -4.888 1.404 1.00 0.00 H new ATOM 1329 N VAL A 86 7.395 -3.139 -0.738 1.00 0.00 N ATOM 1330 CA VAL A 86 6.753 -2.207 -1.656 1.00 0.00 C ATOM 1331 C VAL A 86 7.742 -1.160 -2.157 1.00 0.00 C ATOM 1332 O VAL A 86 8.298 -0.392 -1.373 1.00 0.00 O ATOM 1333 CB VAL A 86 5.561 -1.493 -0.991 1.00 0.00 C ATOM 1334 CG1 VAL A 86 5.146 -0.276 -1.803 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.394 -2.454 -0.819 1.00 0.00 C ATOM 0 H VAL A 86 7.827 -2.700 0.075 1.00 0.00 H new ATOM 0 HA VAL A 86 6.390 -2.794 -2.499 1.00 0.00 H new ATOM 0 HB VAL A 86 5.869 -1.151 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.303 0.215 -1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.982 0.420 -1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.855 -0.589 -2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.560 -1.933 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.084 -2.828 -1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.701 -3.290 -0.191 1.00 0.00 H new ATOM 1345 N GLU A 87 7.956 -1.136 -3.469 1.00 0.00 N ATOM 1346 CA GLU A 87 8.879 -0.183 -4.074 1.00 0.00 C ATOM 1347 C GLU A 87 8.123 0.993 -4.687 1.00 0.00 C ATOM 1348 O GLU A 87 7.115 0.809 -5.369 1.00 0.00 O ATOM 1349 CB GLU A 87 9.728 -0.871 -5.145 1.00 0.00 C ATOM 1350 CG GLU A 87 10.830 0.010 -5.708 1.00 0.00 C ATOM 1351 CD GLU A 87 11.300 -0.444 -7.076 1.00 0.00 C ATOM 1352 OE1 GLU A 87 10.558 -1.201 -7.737 1.00 0.00 O ATOM 1353 OE2 GLU A 87 12.409 -0.042 -7.486 1.00 0.00 O ATOM 0 H GLU A 87 7.503 -1.765 -4.132 1.00 0.00 H new ATOM 0 HA GLU A 87 9.534 0.197 -3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.175 -1.770 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.079 -1.192 -5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.471 1.037 -5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.675 0.012 -5.020 1.00 0.00 H new ATOM 1360 N PHE A 88 8.618 2.201 -4.438 1.00 0.00 N ATOM 1361 CA PHE A 88 7.989 3.407 -4.963 1.00 0.00 C ATOM 1362 C PHE A 88 9.000 4.545 -5.068 1.00 0.00 C ATOM 1363 O PHE A 88 9.502 5.038 -4.059 1.00 0.00 O ATOM 1364 CB PHE A 88 6.820 3.829 -4.069 1.00 0.00 C ATOM 1365 CG PHE A 88 6.497 5.293 -4.157 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.911 5.820 -5.297 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.780 6.143 -3.100 1.00 0.00 C ATOM 1368 CE1 PHE A 88 5.612 7.167 -5.381 1.00 0.00 C ATOM 1369 CE2 PHE A 88 6.482 7.490 -3.178 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.899 8.003 -4.320 1.00 0.00 C ATOM 0 H PHE A 88 9.452 2.371 -3.876 1.00 0.00 H new ATOM 0 HA PHE A 88 7.612 3.185 -5.961 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.936 3.253 -4.344 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.055 3.578 -3.035 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.685 5.170 -6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.239 5.748 -2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.155 7.565 -6.275 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.705 8.142 -2.346 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.668 9.056 -4.383 1.00 0.00 H new ATOM 1380 N GLU A 89 9.292 4.957 -6.298 1.00 0.00 N ATOM 1381 CA GLU A 89 10.244 6.036 -6.535 1.00 0.00 C ATOM 1382 C GLU A 89 9.615 7.141 -7.378 1.00 0.00 C ATOM 1383 O GLU A 89 9.480 7.027 -8.597 1.00 0.00 O ATOM 1384 CB GLU A 89 11.495 5.498 -7.232 1.00 0.00 C ATOM 1385 CG GLU A 89 12.519 6.572 -7.560 1.00 0.00 C ATOM 1386 CD GLU A 89 13.550 6.106 -8.570 1.00 0.00 C ATOM 1387 OE1 GLU A 89 14.578 5.536 -8.147 1.00 0.00 O ATOM 1388 OE2 GLU A 89 13.330 6.312 -9.782 1.00 0.00 O ATOM 0 H GLU A 89 8.884 4.561 -7.144 1.00 0.00 H new ATOM 0 HA GLU A 89 10.526 6.455 -5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.961 4.746 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.200 4.996 -8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.006 7.451 -7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.025 6.878 -6.644 1.00 0.00 H new ATOM 1395 N PRO A 90 9.219 8.238 -6.715 1.00 0.00 N ATOM 1396 CA PRO A 90 8.597 9.385 -7.382 1.00 0.00 C ATOM 1397 C PRO A 90 9.583 10.151 -8.257 1.00 0.00 C ATOM 1398 O PRO A 90 10.793 10.086 -8.047 1.00 0.00 O ATOM 1399 CB PRO A 90 8.124 10.259 -6.218 1.00 0.00 C ATOM 1400 CG PRO A 90 9.021 9.899 -5.085 1.00 0.00 C ATOM 1401 CD PRO A 90 9.348 8.442 -5.262 1.00 0.00 C ATOM 0 HA PRO A 90 7.797 9.080 -8.056 1.00 0.00 H new ATOM 0 HB2 PRO A 90 8.200 11.319 -6.462 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.080 10.062 -5.974 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.926 10.506 -5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.530 10.075 -4.128 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.354 8.210 -4.911 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.661 7.805 -4.704 1.00 0.00 H new ATOM 1409 N GLN A 91 9.056 10.877 -9.239 1.00 0.00 N ATOM 1410 CA GLN A 91 9.892 11.655 -10.146 1.00 0.00 C ATOM 1411 C GLN A 91 9.744 13.149 -9.875 1.00 0.00 C ATOM 1412 O GLN A 91 10.697 13.914 -10.023 1.00 0.00 O ATOM 1413 CB GLN A 91 9.526 11.349 -11.599 1.00 0.00 C ATOM 1414 CG GLN A 91 10.702 11.450 -12.557 1.00 0.00 C ATOM 1415 CD GLN A 91 11.586 10.219 -12.527 1.00 0.00 C ATOM 1416 OE1 GLN A 91 11.487 9.348 -13.393 1.00 0.00 O ATOM 1417 NE2 GLN A 91 12.458 10.139 -11.528 1.00 0.00 N ATOM 0 H GLN A 91 8.055 10.942 -9.426 1.00 0.00 H new ATOM 0 HA GLN A 91 10.931 11.374 -9.974 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.107 10.344 -11.656 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.745 12.038 -11.921 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.329 11.600 -13.570 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.298 12.327 -12.304 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.506 10.883 -10.832 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.079 9.333 -11.457 1.00 0.00 H new ATOM 1426 N SER A 92 8.543 13.557 -9.479 1.00 0.00 N ATOM 1427 CA SER A 92 8.269 14.960 -9.192 1.00 0.00 C ATOM 1428 C SER A 92 8.033 15.174 -7.700 1.00 0.00 C ATOM 1429 O SER A 92 7.359 14.377 -7.046 1.00 0.00 O ATOM 1430 CB SER A 92 7.051 15.437 -9.986 1.00 0.00 C ATOM 1431 OG SER A 92 5.912 14.644 -9.698 1.00 0.00 O ATOM 0 H SER A 92 7.744 12.936 -9.350 1.00 0.00 H new ATOM 0 HA SER A 92 9.140 15.543 -9.491 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.842 16.480 -9.746 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.268 15.393 -11.053 1.00 0.00 H new ATOM 0 HG SER A 92 5.147 14.970 -10.216 1.00 0.00 H new ATOM 1437 N VAL A 93 8.592 16.255 -7.167 1.00 0.00 N ATOM 1438 CA VAL A 93 8.443 16.576 -5.753 1.00 0.00 C ATOM 1439 C VAL A 93 6.986 16.860 -5.404 1.00 0.00 C ATOM 1440 O VAL A 93 6.285 17.553 -6.140 1.00 0.00 O ATOM 1441 CB VAL A 93 9.300 17.793 -5.359 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.249 18.020 -3.856 1.00 0.00 C ATOM 1443 CG2 VAL A 93 10.735 17.608 -5.830 1.00 0.00 C ATOM 0 H VAL A 93 9.153 16.924 -7.694 1.00 0.00 H new ATOM 0 HA VAL A 93 8.785 15.705 -5.194 1.00 0.00 H new ATOM 0 HB VAL A 93 8.891 18.677 -5.849 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.861 18.884 -3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.218 18.200 -3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.631 17.138 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.327 18.477 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.157 16.714 -5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.751 17.500 -6.915 1.00 0.00 H new ATOM 1453 N GLY A 94 6.536 16.320 -4.276 1.00 0.00 N ATOM 1454 CA GLY A 94 5.165 16.527 -3.849 1.00 0.00 C ATOM 1455 C GLY A 94 4.548 15.277 -3.252 1.00 0.00 C ATOM 1456 O GLY A 94 5.135 14.196 -3.316 1.00 0.00 O ATOM 0 H GLY A 94 7.097 15.742 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.134 17.330 -3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.568 16.852 -4.701 1.00 0.00 H new ATOM 1460 N ASP A 95 3.364 15.424 -2.670 1.00 0.00 N ATOM 1461 CA ASP A 95 2.667 14.298 -2.058 1.00 0.00 C ATOM 1462 C ASP A 95 1.937 13.473 -3.113 1.00 0.00 C ATOM 1463 O ASP A 95 1.172 14.009 -3.916 1.00 0.00 O ATOM 1464 CB ASP A 95 1.675 14.796 -1.006 1.00 0.00 C ATOM 1465 CG ASP A 95 1.436 13.777 0.091 1.00 0.00 C ATOM 1466 OD1 ASP A 95 2.163 12.763 0.127 1.00 0.00 O ATOM 1467 OD2 ASP A 95 0.520 13.993 0.913 1.00 0.00 O ATOM 0 H ASP A 95 2.866 16.312 -2.609 1.00 0.00 H new ATOM 0 HA ASP A 95 3.409 13.662 -1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.050 15.719 -0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.727 15.035 -1.489 1.00 0.00 H new ATOM 1472 N HIS A 96 2.179 12.166 -3.107 1.00 0.00 N ATOM 1473 CA HIS A 96 1.545 11.267 -4.064 1.00 0.00 C ATOM 1474 C HIS A 96 0.710 10.210 -3.346 1.00 0.00 C ATOM 1475 O HIS A 96 1.132 9.657 -2.331 1.00 0.00 O ATOM 1476 CB HIS A 96 2.602 10.591 -4.938 1.00 0.00 C ATOM 1477 CG HIS A 96 3.509 11.557 -5.637 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.103 12.336 -6.700 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.807 11.869 -5.417 1.00 0.00 C ATOM 1480 CE1 HIS A 96 4.114 13.084 -7.105 1.00 0.00 C ATOM 1481 NE2 HIS A 96 5.160 12.820 -6.342 1.00 0.00 N ATOM 0 H HIS A 96 2.809 11.706 -2.450 1.00 0.00 H new ATOM 0 HA HIS A 96 0.884 11.858 -4.698 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.202 9.925 -4.318 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.103 9.970 -5.682 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.447 11.448 -4.655 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.090 13.791 -7.921 1.00 0.00 H new ATOM 0 HE2 HIS A 96 6.080 13.252 -6.427 1.00 0.00 H new ATOM 1490 N SER A 97 -0.476 9.937 -3.881 1.00 0.00 N ATOM 1491 CA SER A 97 -1.372 8.950 -3.288 1.00 0.00 C ATOM 1492 C SER A 97 -1.906 7.995 -4.350 1.00 0.00 C ATOM 1493 O SER A 97 -2.263 8.410 -5.452 1.00 0.00 O ATOM 1494 CB SER A 97 -2.536 9.647 -2.581 1.00 0.00 C ATOM 1495 OG SER A 97 -3.343 10.357 -3.504 1.00 0.00 O ATOM 0 H SER A 97 -0.839 10.385 -4.723 1.00 0.00 H new ATOM 0 HA SER A 97 -0.805 8.373 -2.557 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.142 8.908 -2.057 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.149 10.334 -1.828 1.00 0.00 H new ATOM 0 HG SER A 97 -4.080 10.792 -3.027 1.00 0.00 H new ATOM 1501 N GLY A 98 -1.959 6.710 -4.010 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.450 5.715 -4.944 1.00 0.00 C ATOM 1503 C GLY A 98 -3.459 4.775 -4.313 1.00 0.00 C ATOM 1504 O GLY A 98 -4.069 5.102 -3.295 1.00 0.00 O ATOM 0 H GLY A 98 -1.670 6.341 -3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.909 6.216 -5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.610 5.136 -5.329 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.636 3.606 -4.919 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.580 2.618 -4.411 1.00 0.00 C ATOM 1510 C ARG A 99 -4.214 1.218 -4.896 1.00 0.00 C ATOM 1511 O ARG A 99 -4.060 0.984 -6.095 1.00 0.00 O ATOM 1512 CB ARG A 99 -6.003 2.966 -4.853 1.00 0.00 C ATOM 1513 CG ARG A 99 -7.062 2.036 -4.285 1.00 0.00 C ATOM 1514 CD ARG A 99 -8.451 2.647 -4.382 1.00 0.00 C ATOM 1515 NE ARG A 99 -8.549 3.902 -3.641 1.00 0.00 N ATOM 1516 CZ ARG A 99 -9.688 4.563 -3.464 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -10.818 4.091 -3.971 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -9.697 5.699 -2.778 1.00 0.00 N ATOM 0 H ARG A 99 -3.138 3.320 -5.762 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.531 2.632 -3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.229 3.988 -4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.053 2.938 -5.941 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -7.042 1.088 -4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.833 1.815 -3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.697 2.824 -5.429 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.186 1.940 -3.997 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.697 4.292 -3.238 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.815 3.218 -4.499 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.691 4.601 -3.833 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.829 6.065 -2.386 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.572 6.206 -2.642 1.00 0.00 H new ATOM 1532 N LEU A 100 -4.076 0.290 -3.955 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.728 -1.088 -4.285 1.00 0.00 C ATOM 1534 C LEU A 100 -4.955 -1.991 -4.220 1.00 0.00 C ATOM 1535 O LEU A 100 -5.540 -2.184 -3.154 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.650 -1.605 -3.331 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.315 -0.859 -3.358 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.500 -1.177 -2.115 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.533 -1.211 -4.616 1.00 0.00 C ATOM 0 H LEU A 100 -4.200 0.467 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.342 -1.104 -5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.044 -1.567 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.462 -2.654 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.519 0.212 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.446 -0.637 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.056 -0.874 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.305 -2.249 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.414 -0.671 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.340 -2.284 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.113 -0.931 -5.495 1.00 0.00 H new ATOM 1551 N ILE A 101 -5.340 -2.541 -5.367 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.496 -3.426 -5.439 1.00 0.00 C ATOM 1553 C ILE A 101 -6.075 -4.889 -5.344 1.00 0.00 C ATOM 1554 O ILE A 101 -5.474 -5.435 -6.269 1.00 0.00 O ATOM 1555 CB ILE A 101 -7.286 -3.215 -6.744 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.706 -1.750 -6.880 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -8.503 -4.126 -6.780 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -7.878 -1.302 -8.315 1.00 0.00 C ATOM 0 H ILE A 101 -4.868 -2.389 -6.259 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.136 -3.179 -4.592 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.642 -3.469 -7.586 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.644 -1.598 -6.345 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.959 -1.120 -6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.051 -3.965 -7.708 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.181 -5.166 -6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -9.151 -3.901 -5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.176 -0.254 -8.336 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.935 -1.422 -8.849 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.647 -1.907 -8.796 1.00 0.00 H new ATOM 1570 N VAL A 102 -6.397 -5.519 -4.219 1.00 0.00 N ATOM 1571 CA VAL A 102 -6.056 -6.920 -4.003 1.00 0.00 C ATOM 1572 C VAL A 102 -7.122 -7.842 -4.583 1.00 0.00 C ATOM 1573 O VAL A 102 -8.319 -7.606 -4.414 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.885 -7.232 -2.504 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -5.347 -8.641 -2.309 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.970 -6.208 -1.848 1.00 0.00 C ATOM 0 H VAL A 102 -6.894 -5.081 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 102 -5.110 -7.097 -4.514 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.862 -7.173 -2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.233 -8.843 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.043 -9.359 -2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.379 -8.732 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.860 -6.443 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.992 -6.233 -2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -5.402 -5.213 -1.955 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.681 -8.891 -5.268 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.598 -9.849 -5.875 1.00 0.00 C ATOM 1588 C CYS A 103 -7.465 -11.220 -5.219 1.00 0.00 C ATOM 1589 O CYS A 103 -6.406 -11.845 -5.272 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.331 -9.961 -7.376 1.00 0.00 C ATOM 1591 SG CYS A 103 -8.781 -10.426 -8.351 1.00 0.00 S ATOM 0 H CYS A 103 -5.694 -9.100 -5.417 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.615 -9.489 -5.720 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.953 -9.005 -7.739 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.545 -10.698 -7.540 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.456 -10.493 -9.608 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.546 -11.680 -4.599 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.549 -12.975 -3.928 1.00 0.00 C ATOM 1599 C TYR A 104 -9.037 -14.073 -4.868 1.00 0.00 C ATOM 1600 O TYR A 104 -9.556 -13.796 -5.949 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.434 -12.924 -2.681 1.00 0.00 C ATOM 1602 CG TYR A 104 -8.830 -12.136 -1.541 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.020 -12.754 -0.596 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -9.068 -10.774 -1.409 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.466 -12.038 0.448 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -8.518 -10.049 -0.370 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.718 -10.686 0.556 1.00 0.00 C ATOM 1608 OH TYR A 104 -7.168 -9.968 1.594 1.00 0.00 O ATOM 0 H TYR A 104 -9.431 -11.176 -4.547 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.526 -13.205 -3.630 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.396 -12.484 -2.946 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.631 -13.942 -2.344 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.820 -13.812 -0.679 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -9.695 -10.273 -2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.840 -12.534 1.175 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.713 -8.990 -0.283 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.442 -9.030 1.524 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.867 -15.322 -4.446 1.00 0.00 N ATOM 1619 CA ASP A 105 -9.291 -16.464 -5.247 1.00 0.00 C ATOM 1620 C ASP A 105 -10.784 -16.725 -5.074 1.00 0.00 C ATOM 1621 O ASP A 105 -11.453 -17.201 -5.992 1.00 0.00 O ATOM 1622 CB ASP A 105 -8.494 -17.710 -4.859 1.00 0.00 C ATOM 1623 CG ASP A 105 -8.824 -18.904 -5.732 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -8.624 -18.814 -6.962 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -9.282 -19.930 -5.186 1.00 0.00 O ATOM 0 H ASP A 105 -8.439 -15.569 -3.554 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.100 -16.232 -6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.428 -17.493 -4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.698 -17.958 -3.817 1.00 0.00 H new ATOM 1630 N THR A 106 -11.301 -16.412 -3.890 1.00 0.00 N ATOM 1631 CA THR A 106 -12.713 -16.615 -3.595 1.00 0.00 C ATOM 1632 C THR A 106 -13.581 -15.605 -4.338 1.00 0.00 C ATOM 1633 O THR A 106 -14.583 -15.966 -4.952 1.00 0.00 O ATOM 1634 CB THR A 106 -12.994 -16.502 -2.085 1.00 0.00 C ATOM 1635 OG1 THR A 106 -14.372 -16.785 -1.820 1.00 0.00 O ATOM 1636 CG2 THR A 106 -12.649 -15.112 -1.572 1.00 0.00 C ATOM 0 H THR A 106 -10.762 -16.017 -3.120 1.00 0.00 H new ATOM 0 HA THR A 106 -12.963 -17.622 -3.929 1.00 0.00 H new ATOM 0 HB THR A 106 -12.368 -17.229 -1.567 1.00 0.00 H new ATOM 0 HG1 THR A 106 -14.542 -16.712 -0.858 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.856 -15.057 -0.503 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.592 -14.911 -1.748 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.251 -14.371 -2.097 1.00 0.00 H new ATOM 1644 N GLY A 107 -13.187 -14.336 -4.278 1.00 0.00 N ATOM 1645 CA GLY A 107 -13.940 -13.294 -4.951 1.00 0.00 C ATOM 1646 C GLY A 107 -14.081 -12.043 -4.105 1.00 0.00 C ATOM 1647 O GLY A 107 -15.157 -11.450 -4.039 1.00 0.00 O ATOM 0 H GLY A 107 -12.361 -14.012 -3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.446 -13.041 -5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.931 -13.671 -5.204 1.00 0.00 H new ATOM 1651 N GLU A 108 -12.992 -11.643 -3.457 1.00 0.00 N ATOM 1652 CA GLU A 108 -13.000 -10.457 -2.610 1.00 0.00 C ATOM 1653 C GLU A 108 -12.011 -9.414 -3.123 1.00 0.00 C ATOM 1654 O GLU A 108 -11.038 -9.746 -3.801 1.00 0.00 O ATOM 1655 CB GLU A 108 -12.660 -10.831 -1.166 1.00 0.00 C ATOM 1656 CG GLU A 108 -11.910 -9.743 -0.415 1.00 0.00 C ATOM 1657 CD GLU A 108 -12.786 -8.550 -0.088 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -13.857 -8.411 -0.716 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -12.402 -7.756 0.796 1.00 0.00 O ATOM 0 H GLU A 108 -12.093 -12.123 -3.502 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.002 -10.028 -2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -13.582 -11.059 -0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.059 -11.740 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.506 -10.157 0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.061 -9.413 -1.014 1.00 0.00 H new ATOM 1666 N LYS A 109 -12.267 -8.152 -2.796 1.00 0.00 N ATOM 1667 CA LYS A 109 -11.401 -7.060 -3.222 1.00 0.00 C ATOM 1668 C LYS A 109 -11.005 -6.185 -2.037 1.00 0.00 C ATOM 1669 O LYS A 109 -11.724 -6.110 -1.040 1.00 0.00 O ATOM 1670 CB LYS A 109 -12.102 -6.210 -4.284 1.00 0.00 C ATOM 1671 CG LYS A 109 -11.148 -5.570 -5.278 1.00 0.00 C ATOM 1672 CD LYS A 109 -11.813 -4.433 -6.036 1.00 0.00 C ATOM 1673 CE LYS A 109 -12.467 -4.925 -7.318 1.00 0.00 C ATOM 1674 NZ LYS A 109 -13.641 -4.091 -7.697 1.00 0.00 N ATOM 0 H LYS A 109 -13.068 -7.860 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.497 -7.493 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.813 -6.834 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.677 -5.427 -3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.271 -5.194 -4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.797 -6.323 -5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.563 -3.961 -5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.072 -3.670 -6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.736 -4.912 -8.127 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.783 -5.960 -7.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -14.059 -4.459 -8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.350 -4.123 -6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.335 -3.108 -7.844 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.857 -5.524 -2.152 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.367 -4.653 -1.090 1.00 0.00 C ATOM 1690 C VAL A 110 -8.601 -3.466 -1.664 1.00 0.00 C ATOM 1691 O VAL A 110 -7.819 -3.614 -2.604 1.00 0.00 O ATOM 1692 CB VAL A 110 -8.454 -5.417 -0.114 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -7.940 -4.487 0.975 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -9.192 -6.602 0.490 1.00 0.00 C ATOM 0 H VAL A 110 -9.249 -5.575 -2.970 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.241 -4.290 -0.548 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.596 -5.797 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.296 -5.044 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.372 -3.675 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.783 -4.075 1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.531 -7.130 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.069 -6.247 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.505 -7.279 -0.305 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.829 -2.289 -1.091 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.161 -1.075 -1.546 1.00 0.00 C ATOM 1706 C PHE A 111 -7.283 -0.492 -0.442 1.00 0.00 C ATOM 1707 O PHE A 111 -7.767 -0.154 0.638 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.191 -0.037 -1.995 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.132 -0.545 -3.050 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -11.307 -1.189 -2.697 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -9.842 -0.379 -4.394 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -12.176 -1.657 -3.665 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -10.707 -0.845 -5.367 1.00 0.00 C ATOM 1714 CZ PHE A 111 -11.875 -1.485 -5.001 1.00 0.00 C ATOM 0 H PHE A 111 -9.471 -2.150 -0.311 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.526 -1.335 -2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.769 0.288 -1.130 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.669 0.840 -2.377 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -11.547 -1.327 -1.653 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -8.930 0.120 -4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -13.089 -2.156 -3.376 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -10.470 -0.709 -6.412 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.552 -1.850 -5.759 1.00 0.00 H new ATOM 1724 N VAL A 112 -5.988 -0.378 -0.721 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.042 0.164 0.246 1.00 0.00 C ATOM 1726 C VAL A 112 -4.386 1.436 -0.280 1.00 0.00 C ATOM 1727 O VAL A 112 -3.479 1.380 -1.111 1.00 0.00 O ATOM 1728 CB VAL A 112 -3.946 -0.860 0.594 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -2.940 -0.258 1.563 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.563 -2.125 1.170 1.00 0.00 C ATOM 0 H VAL A 112 -5.570 -0.654 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.609 0.397 1.147 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.417 -1.125 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.173 -0.997 1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.475 0.616 1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.450 0.038 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.774 -2.838 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.118 -1.879 2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.240 -2.566 0.438 1.00 0.00 H new ATOM 1740 N SER A 113 -4.850 2.581 0.210 1.00 0.00 N ATOM 1741 CA SER A 113 -4.310 3.868 -0.213 1.00 0.00 C ATOM 1742 C SER A 113 -2.795 3.904 -0.042 1.00 0.00 C ATOM 1743 O SER A 113 -2.240 3.237 0.833 1.00 0.00 O ATOM 1744 CB SER A 113 -4.953 5.002 0.587 1.00 0.00 C ATOM 1745 OG SER A 113 -6.364 4.977 0.465 1.00 0.00 O ATOM 0 H SER A 113 -5.598 2.644 0.900 1.00 0.00 H new ATOM 0 HA SER A 113 -4.542 4.002 -1.270 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.674 4.914 1.637 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.572 5.961 0.235 1.00 0.00 H new ATOM 0 HG SER A 113 -6.751 5.711 0.987 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.129 4.688 -0.883 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.677 4.813 -0.827 1.00 0.00 C ATOM 1753 C LEU A 114 -0.266 6.246 -0.505 1.00 0.00 C ATOM 1754 O LEU A 114 -1.065 7.174 -0.628 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.056 4.378 -2.155 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.195 2.897 -2.508 1.00 0.00 C ATOM 1757 CD1 LEU A 114 0.389 2.619 -3.885 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.483 2.032 -1.456 1.00 0.00 C ATOM 0 H LEU A 114 -2.572 5.247 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.311 4.163 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.508 4.965 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 114 1.005 4.628 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.256 2.646 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.281 1.560 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.141 3.211 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.446 2.886 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.374 0.981 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.542 2.285 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.020 2.209 -0.485 1.00 0.00 H new ATOM 1770 N TYR A 115 0.985 6.418 -0.094 1.00 0.00 N ATOM 1771 CA TYR A 115 1.503 7.739 0.246 1.00 0.00 C ATOM 1772 C TYR A 115 3.024 7.775 0.126 1.00 0.00 C ATOM 1773 O TYR A 115 3.669 6.742 -0.048 1.00 0.00 O ATOM 1774 CB TYR A 115 1.083 8.124 1.665 1.00 0.00 C ATOM 1775 CG TYR A 115 -0.099 9.065 1.712 1.00 0.00 C ATOM 1776 CD1 TYR A 115 0.033 10.398 1.341 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.349 8.622 2.127 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -1.045 11.261 1.383 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.433 9.478 2.171 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.275 10.796 1.798 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.351 11.653 1.840 1.00 0.00 O ATOM 0 H TYR A 115 1.659 5.660 0.012 1.00 0.00 H new ATOM 0 HA TYR A 115 1.084 8.458 -0.458 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.838 7.219 2.221 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.928 8.590 2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.995 10.765 1.014 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.476 7.590 2.420 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.925 12.294 1.092 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.398 9.117 2.495 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.143 11.168 2.153 1.00 0.00 H new ATOM 1791 N GLY A 116 3.590 8.974 0.221 1.00 0.00 N ATOM 1792 CA GLY A 116 5.030 9.125 0.121 1.00 0.00 C ATOM 1793 C GLY A 116 5.444 10.550 -0.188 1.00 0.00 C ATOM 1794 O GLY A 116 6.043 10.818 -1.228 1.00 0.00 O ATOM 0 H GLY A 116 3.077 9.844 0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.491 8.811 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.408 8.463 -0.658 1.00 0.00 H new ATOM 1798 N ALA A 117 5.121 11.468 0.718 1.00 0.00 N ATOM 1799 CA ALA A 117 5.464 12.873 0.537 1.00 0.00 C ATOM 1800 C ALA A 117 6.947 13.040 0.224 1.00 0.00 C ATOM 1801 O ALA A 117 7.798 12.882 1.099 1.00 0.00 O ATOM 1802 CB ALA A 117 5.091 13.671 1.778 1.00 0.00 C ATOM 0 H ALA A 117 4.623 11.264 1.584 1.00 0.00 H new ATOM 0 HA ALA A 117 4.896 13.254 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.353 14.719 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.019 13.586 1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.634 13.280 2.639 1.00 0.00 H new ATOM 1808 N ALA A 118 7.249 13.361 -1.030 1.00 0.00 N ATOM 1809 CA ALA A 118 8.630 13.551 -1.458 1.00 0.00 C ATOM 1810 C ALA A 118 9.134 14.941 -1.084 1.00 0.00 C ATOM 1811 O ALA A 118 8.375 15.774 -0.589 1.00 0.00 O ATOM 1812 CB ALA A 118 8.752 13.329 -2.958 1.00 0.00 C ATOM 0 H ALA A 118 6.557 13.495 -1.767 1.00 0.00 H new ATOM 0 HA ALA A 118 9.249 12.818 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.788 13.474 -3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.440 12.313 -3.202 1.00 0.00 H new ATOM 0 HB3 ALA A 118 8.115 14.040 -3.484 1.00 0.00 H new ATOM 1818 N ILE A 119 10.419 15.183 -1.322 1.00 0.00 N ATOM 1819 CA ILE A 119 11.023 16.472 -1.010 1.00 0.00 C ATOM 1820 C ILE A 119 12.215 16.754 -1.918 1.00 0.00 C ATOM 1821 O ILE A 119 12.980 15.851 -2.254 1.00 0.00 O ATOM 1822 CB ILE A 119 11.484 16.536 0.458 1.00 0.00 C ATOM 1823 CG1 ILE A 119 12.551 15.473 0.728 1.00 0.00 C ATOM 1824 CG2 ILE A 119 10.299 16.354 1.394 1.00 0.00 C ATOM 1825 CD1 ILE A 119 13.966 16.001 0.639 1.00 0.00 C ATOM 0 H ILE A 119 11.061 14.503 -1.730 1.00 0.00 H new ATOM 0 HA ILE A 119 10.256 17.229 -1.175 1.00 0.00 H new ATOM 0 HB ILE A 119 11.921 17.517 0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 119 12.390 15.053 1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 119 12.430 14.659 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.641 16.402 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.570 17.145 1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.835 15.385 1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 119 14.669 15.193 0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 119 14.145 16.395 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 119 14.105 16.795 1.372 1.00 0.00 H new ATOM 1837 N ASP A 120 12.367 18.014 -2.311 1.00 0.00 N ATOM 1838 CA ASP A 120 13.468 18.418 -3.178 1.00 0.00 C ATOM 1839 C ASP A 120 14.755 18.591 -2.378 1.00 0.00 C ATOM 1840 O ASP A 120 14.931 19.586 -1.676 1.00 0.00 O ATOM 1841 CB ASP A 120 13.123 19.720 -3.902 1.00 0.00 C ATOM 1842 CG ASP A 120 14.272 20.233 -4.748 1.00 0.00 C ATOM 1843 OD1 ASP A 120 14.975 19.403 -5.361 1.00 0.00 O ATOM 1844 OD2 ASP A 120 14.468 21.465 -4.797 1.00 0.00 O ATOM 0 H ASP A 120 11.741 18.774 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 120 13.624 17.631 -3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 120 12.251 19.560 -4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 120 12.848 20.478 -3.169 1.00 0.00 H new ATOM 1849 N MET A 121 15.650 17.615 -2.489 1.00 0.00 N ATOM 1850 CA MET A 121 16.921 17.660 -1.775 1.00 0.00 C ATOM 1851 C MET A 121 18.075 17.927 -2.736 1.00 0.00 C ATOM 1852 O MET A 121 19.133 18.407 -2.332 1.00 0.00 O ATOM 1853 CB MET A 121 17.158 16.346 -1.028 1.00 0.00 C ATOM 1854 CG MET A 121 16.591 15.130 -1.743 1.00 0.00 C ATOM 1855 SD MET A 121 17.564 13.639 -1.455 1.00 0.00 S ATOM 1856 CE MET A 121 17.459 13.506 0.329 1.00 0.00 C ATOM 0 H MET A 121 15.519 16.784 -3.066 1.00 0.00 H new ATOM 0 HA MET A 121 16.875 18.476 -1.054 1.00 0.00 H new ATOM 0 HB2 MET A 121 18.230 16.207 -0.886 1.00 0.00 H new ATOM 0 HB3 MET A 121 16.711 16.415 -0.036 1.00 0.00 H new ATOM 0 HG2 MET A 121 15.567 14.961 -1.409 1.00 0.00 H new ATOM 0 HG3 MET A 121 16.548 15.330 -2.814 1.00 0.00 H new ATOM 0 HE1 MET A 121 17.874 12.550 0.648 1.00 0.00 H new ATOM 0 HE2 MET A 121 18.024 14.318 0.788 1.00 0.00 H new ATOM 0 HE3 MET A 121 16.416 13.570 0.638 1.00 0.00 H new ATOM 1866 N ASN A 122 17.863 17.613 -4.010 1.00 0.00 N ATOM 1867 CA ASN A 122 18.886 17.819 -5.029 1.00 0.00 C ATOM 1868 C ASN A 122 18.265 18.307 -6.334 1.00 0.00 C ATOM 1869 O ASN A 122 17.056 18.195 -6.537 1.00 0.00 O ATOM 1870 CB ASN A 122 19.659 16.521 -5.274 1.00 0.00 C ATOM 1871 CG ASN A 122 20.466 16.563 -6.557 1.00 0.00 C ATOM 1872 OD1 ASN A 122 21.180 17.529 -6.824 1.00 0.00 O ATOM 1873 ND2 ASN A 122 20.355 15.510 -7.360 1.00 0.00 N ATOM 0 H ASN A 122 16.992 17.215 -4.361 1.00 0.00 H new ATOM 0 HA ASN A 122 19.574 18.583 -4.667 1.00 0.00 H new ATOM 0 HB2 ASN A 122 20.327 16.335 -4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 122 18.959 15.687 -5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 122 20.874 15.481 -8.238 1.00 0.00 H new ATOM 0 HD22 ASN A 122 19.751 14.731 -7.099 1.00 0.00 H new TER 1880 ASN A 122